annotate test-data/contacts.dat @ 2:e0ecaf2d05fb draft default tip

"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
author chemteam
date Fri, 13 Nov 2020 19:39:27 +0000
parents ad49025ba90d
children
Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
rev   line source
0
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
1 1.935042715939207980e+01 1.997237540908500009e+01 2.578169160930507786e+01 2.662967434240173503e+01 2.140055638457945619e+01 2.186419820909153700e+01 2.138127281093456844e+01 2.450577396773067917e+01 2.344322452708901494e+01 2.052492021755178087e+01 2.498771361354259923e+01 7.287566146100804332e+00 9.674008889357175178e+00 1.097507993244919966e+01 8.876770539062370347e+00 5.585553189124439655e+00 8.057092627909513638e+00 6.343384160754197865e+00 5.416250355268554806e+00 8.648677395848054061e+00 1.153628403617782716e+01 8.996394069288133011e+00 7.306729640207964671e+00 8.305652835268356071e+00 4.644157037027860646e+00 7.186483368605500743e+00 9.334062186765249791e+00 7.466737103408760845e+00 7.342008913138132975e+00 1.221824200539302119e+01 1.166149015164001312e+01 1.064155789208259151e+01 8.299740524705329747e+00 1.042336849671943355e+01 1.019198518358406425e+01 6.793080657183581117e+00 7.701474375902781055e+00 1.087236025593441724e+01 9.539699414151193935e+00 1.031722367469920520e+01 1.206151570513721438e+01 9.789436319346672022e+00 7.097511145799689558e+00 1.040567596817996154e+01 1.134201851463517663e+01 8.502154586518038570e+00 9.674653961455888407e+00 1.316302589167985460e+01 1.255494351915703177e+01 1.417098424511240573e+01 1.290175876548992129e+01 1.570591866331542619e+01 1.549943267664849955e+01 1.190447407790512280e+01 1.359304119520568754e+01 1.645137379013905843e+01 1.470535274474426579e+01 1.251089465695991088e+01 1.605773425179921077e+01 1.701509618916576727e+01 1.506203022114835832e+01 1.701936054942383336e+01 1.452663145655694699e+01 1.576627311451249192e+01 1.925304253409014521e+01 1.925583832476088730e+01 1.802155185513226954e+01 1.867709482913316421e+01 1.925307999593724517e+01 1.614742248020981208e+01 1.402776605272265975e+01 1.601257788979976127e+01 1.589341908685687521e+01 1.203454188580065853e+01 1.247599755851955372e+01 1.534196752962361998e+01 1.088250941291023288e+01 1.454974199397680223e+01 1.646806028858280868e+01 1.426535230882971206e+01 1.657829673296263806e+01 1.725353762450723138e+01 1.991948889788863042e+01 1.928405647131519629e+01 2.224175711733200345e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
2 1.896953681444676931e+01 2.003112524382854431e+01 2.556117010387380972e+01 2.668067174960903998e+01 2.112527391326124970e+01 2.160559544114219932e+01 2.133415326630552755e+01 2.464288060062635921e+01 2.325984554355934719e+01 2.056650034170221275e+01 2.429854079055938243e+01 7.578009193048453440e+00 1.025122651219229652e+01 1.134202913809907542e+01 9.030742979438722173e+00 5.649372880886814663e+00 8.016391472447942590e+00 6.440190851689589380e+00 5.831752032519954554e+00 9.029085769378058401e+00 1.175868474738480884e+01 8.646017528903689353e+00 7.358196002938978353e+00 7.754635244777933423e+00 4.129786215969273755e+00 6.877429447014081099e+00 8.812742009253206277e+00 7.042500438643605420e+00 7.294293229690249625e+00 1.185956109561631422e+01 1.137690286751240265e+01 1.031339751214010114e+01 8.379499081546402550e+00 1.060567400206398858e+01 9.969569436038398180e+00 6.377038477487137591e+00 7.607312422391834694e+00 1.062288587573657495e+01 9.225380758394004843e+00 9.968461040765131287e+00 1.188081153307093096e+01 9.576445282943190307e+00 6.978225293188406120e+00 1.019661486623054003e+01 1.124728659646793716e+01 8.288180342560634628e+00 9.532356343321156444e+00 1.291938474920452151e+01 1.236101877803895732e+01 1.396695172786616190e+01 1.252978735923733744e+01 1.570374193566175158e+01 1.517691397291942756e+01 1.166532684038460310e+01 1.340455632939400665e+01 1.576467714530212838e+01 1.345952416665843465e+01 1.098098706254101309e+01 1.443422372631481210e+01 1.594170346092789181e+01 1.412013069205863047e+01 1.628966043267085340e+01 1.387511072173084692e+01 1.512323258582854102e+01 1.872106205947491020e+01 1.897279128653931579e+01 1.772250734130781780e+01 1.851718545509853797e+01 1.887897149992243584e+01 1.580013642935502638e+01 1.331660765674437030e+01 1.525940581413569852e+01 1.508164511421798437e+01 1.126610590234148823e+01 1.165479069568075410e+01 1.452887828815917182e+01 1.007280995069856822e+01 1.352804688695648316e+01 1.557989269692199485e+01 1.366977181465354363e+01 1.645950589626177418e+01 1.705087676383184814e+01 1.950561964211056676e+01 1.841422216099969233e+01 2.206735138924898720e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
3 1.961782142316346622e+01 2.057721669407539267e+01 2.634533979329221509e+01 2.754369054547865758e+01 2.210961066268388819e+01 2.259798626219608764e+01 2.248691494657543544e+01 2.557246601056698410e+01 2.437160091520642524e+01 2.151704036743501547e+01 2.577913326109897696e+01 8.228477899261424255e+00 1.052721196664604975e+01 1.170358173529770163e+01 9.179375695109989408e+00 5.747756072521514881e+00 7.990232122719081786e+00 5.913673577273716120e+00 4.939916830860442865e+00 8.046577515402036695e+00 1.107155569806598550e+01 8.674612288411344352e+00 7.284057476809774556e+00 8.523159598627859879e+00 5.059567900106118010e+00 7.842854592487286780e+00 1.005065780457762870e+01 8.474087806031072034e+00 8.684302520910646805e+00 1.287808005362560060e+01 1.237182624308373136e+01 1.165354125758737425e+01 9.403513733924008022e+00 1.123054703063381510e+01 1.094556510319983289e+01 7.229452992517264143e+00 7.905749087818849219e+00 1.077104619044051859e+01 8.962347678786903415e+00 9.690341762000777237e+00 1.109623809603800559e+01 8.441980214212577494e+00 6.136875610614099585e+00 9.561270342951464940e+00 1.013226782475195797e+01 7.396016034384081728e+00 8.580310701195299927e+00 1.200606935808688114e+01 1.147594882137565975e+01 1.257891291333633710e+01 1.226241079491478914e+01 1.522202496569108199e+01 1.446022131689121082e+01 1.112910305783212550e+01 1.351467471038766632e+01 1.589062389450735857e+01 1.370603241551746443e+01 1.147862103231321562e+01 1.501997245701156736e+01 1.593773762147749196e+01 1.449429826090025486e+01 1.684286625921213698e+01 1.453047378684498980e+01 1.600729490713422365e+01 1.937094221834798802e+01 1.955006087777603341e+01 1.840071210522427592e+01 1.861306678779515522e+01 1.940333449463101800e+01 1.634387862648121370e+01 1.397583947428844731e+01 1.572103042438045151e+01 1.584443683430140126e+01 1.193693492613891927e+01 1.171488457182284648e+01 1.444086337569975065e+01 1.026992680478271680e+01 1.344984100245635972e+01 1.552550378728155067e+01 1.333107782972675004e+01 1.610894122437823128e+01 1.754476454371419081e+01 1.965285625498804123e+01 1.889228545610657051e+01 2.250908154290127783e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
4 1.912679482979978474e+01 2.014980906480141698e+01 2.543111963895260885e+01 2.683888740719860877e+01 2.162771710031236694e+01 2.216150963770451554e+01 2.264474059427676522e+01 2.543826505854513442e+01 2.374508443335855290e+01 2.083225545918747912e+01 2.565100094952202525e+01 7.349246850159381950e+00 9.756698614493741317e+00 1.086391186463508518e+01 8.578499029232359518e+00 5.288840069174603364e+00 7.848583375738953372e+00 6.180687982543602743e+00 5.463515591486789447e+00 8.573595088069685843e+00 1.133964902367248584e+01 8.764862484576466883e+00 7.331788184144307330e+00 8.587338703327054290e+00 5.019055407159966009e+00 7.515097521727793328e+00 9.758276540143766553e+00 8.139571007290861360e+00 8.293051247823472139e+00 1.292844552195077057e+01 1.202466922661994175e+01 1.017663122641003781e+01 8.330129449395281327e+00 1.048734211624888424e+01 1.013194007297168397e+01 6.544614538525144631e+00 7.406212818217440486e+00 1.042796483150934073e+01 9.169388821936831135e+00 9.899284541432294304e+00 1.201012273249893880e+01 9.460537783382966026e+00 6.893030608845605478e+00 1.023069287751367540e+01 1.122415667659514504e+01 8.156489742149506839e+00 9.237448175516139059e+00 1.289902796502043891e+01 1.250702615623634451e+01 1.409826971650712046e+01 1.346728017623532914e+01 1.638696526130220477e+01 1.546131719747003430e+01 1.178490684932180521e+01 1.406004877416661181e+01 1.621813203464826358e+01 1.396445798189678733e+01 1.178297179027354247e+01 1.537805607271950770e+01 1.634614024885767236e+01 1.448049301419035828e+01 1.675192239318721477e+01 1.467928821218082192e+01 1.616065521270886407e+01 1.964003322851740307e+01 1.968413943758400819e+01 1.855088533155695529e+01 1.933028202632695169e+01 1.982482006406751296e+01 1.683658617965032533e+01 1.449862602453894844e+01 1.615471723756358813e+01 1.630385707654053817e+01 1.246359105706759252e+01 1.242429907979151693e+01 1.509654003357908358e+01 1.072907000502519459e+01 1.416020513966987693e+01 1.579926768151010208e+01 1.385523038727902723e+01 1.673521296336548403e+01 1.769007782898348680e+01 2.046536684758362057e+01 1.942018151872547449e+01 2.245241786917881655e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
5 1.961124069472913689e+01 1.988846811799257353e+01 2.499561166471266205e+01 2.638109456679226739e+01 2.170520075956391892e+01 2.185996671519022883e+01 2.191538515077488825e+01 2.491478376155692231e+01 2.362621633425566614e+01 2.059632559275205566e+01 2.528861643062104037e+01 7.423209521628510998e+00 1.004857270798942892e+01 1.115247878332354503e+01 8.829044751177857364e+00 5.628086020696186687e+00 8.042761977051975819e+00 6.473017811418340095e+00 5.684750649553142132e+00 9.027679102058254301e+00 1.185342291838972706e+01 8.833289549176729594e+00 7.506927596854787943e+00 7.971194292351103883e+00 4.396142800322884625e+00 7.060731665299202930e+00 9.114453348027753421e+00 7.241197351908688518e+00 7.506811019567083854e+00 1.200692223032825545e+01 1.116706957932299638e+01 1.027065203900474266e+01 8.566671964369190206e+00 1.088386694206704597e+01 1.022885982015616868e+01 6.629700456172713530e+00 8.277645848549429530e+00 1.089406759399939517e+01 9.195187976753512515e+00 1.009481876639996756e+01 1.184184988134886041e+01 9.176169059334768008e+00 6.728474885795116656e+00 1.012085158195785262e+01 1.099058366228668504e+01 8.078238641221297200e+00 9.268587872680612350e+00 1.282919985040845035e+01 1.246276522892185490e+01 1.389967309236524606e+01 1.314337284185783084e+01 1.619202495407521880e+01 1.533469551087920557e+01 1.170064307659302827e+01 1.381437010133030974e+01 1.615079749519743402e+01 1.389294899712771958e+01 1.131690698398353412e+01 1.478750122723277549e+01 1.622025517837505504e+01 1.484768929509250412e+01 1.670704530915561747e+01 1.445895751059633305e+01 1.590799581212221092e+01 1.927187511236052586e+01 1.924777599649935667e+01 1.793105764019066228e+01 1.837359304756683187e+01 1.915219958657370114e+01 1.595893189542073998e+01 1.392999708700480177e+01 1.607393735509396393e+01 1.558372245586054561e+01 1.179636983057758748e+01 1.179634566514695493e+01 1.457544097087050083e+01 1.065399049990309166e+01 1.412794952834357254e+01 1.629052937475362484e+01 1.437431641485583533e+01 1.702182470980579510e+01 1.765530849524978052e+01 1.999408778247441276e+01 1.885273955435289750e+01 2.240707480432653753e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
6 1.954573155441815047e+01 1.954908273364401694e+01 2.495921967908049055e+01 2.621462580175778712e+01 2.097330637652681418e+01 2.162045569677248480e+01 2.200462331463580057e+01 2.471128448177593029e+01 2.329264899258703636e+01 2.007806456329489819e+01 2.480710245921103052e+01 8.042130960332146472e+00 1.051239613448481514e+01 1.173922235442077699e+01 9.391832463441888379e+00 6.116947174549542510e+00 8.287401656140090722e+00 6.905412052109231702e+00 5.885106825542792741e+00 9.098062268899976601e+00 1.160650348689263645e+01 8.513836319168996525e+00 7.208004799143794550e+00 7.931452666558841180e+00 4.351574087903004262e+00 7.075352845462689722e+00 9.172281605682561789e+00 7.437268555031212536e+00 7.541945946974148995e+00 1.173294875487166067e+01 1.139395652554780725e+01 9.896543315715641498e+00 8.193786257281281848e+00 9.998482125755650429e+00 9.571077232184304506e+00 5.835119345035857386e+00 7.006176088443758054e+00 1.005431134917310843e+01 8.919653247097402371e+00 1.044902527014543736e+01 1.226116513450559076e+01 9.856804440313851501e+00 7.361597968252233670e+00 1.075216707515807890e+01 1.142467101288628584e+01 8.584213606608901870e+00 9.912586899323367007e+00 1.319529128056066902e+01 1.283599631090757853e+01 1.422394680370534914e+01 1.297166885808639769e+01 1.592603652459112595e+01 1.537073230879899910e+01 1.164009130327061037e+01 1.345430852912580555e+01 1.592013402787210374e+01 1.387813621163303246e+01 1.134531347852077054e+01 1.476015555887120456e+01 1.587399008875743078e+01 1.405261408951769120e+01 1.600617891746135513e+01 1.374212230324756767e+01 1.506609350877604037e+01 1.856342574656642697e+01 1.833529470393442651e+01 1.696464360950196593e+01 1.762943061789599497e+01 1.857592880391091938e+01 1.546763524591102446e+01 1.327455968518289886e+01 1.567337694421929584e+01 1.525813181581784583e+01 1.136464728558891757e+01 1.166713930270606880e+01 1.449317030118692173e+01 1.042088794084013870e+01 1.402360473472972124e+01 1.626292577294506003e+01 1.462786190917016960e+01 1.701351074986069989e+01 1.704377206609118289e+01 1.969989102898999178e+01 1.823960879983995653e+01 2.189795346919226660e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
7 1.983929573411396419e+01 2.004380332542715948e+01 2.571456038367588448e+01 2.677078189619030724e+01 2.157914827305249261e+01 2.185520883301445494e+01 2.205863037730648557e+01 2.488312649292672063e+01 2.350100505194199485e+01 2.046809213731303245e+01 2.513748854797418986e+01 7.072045757008790900e+00 9.570765821401279183e+00 1.080986461313542080e+01 8.394135306658879969e+00 5.270217880484340256e+00 7.905538557971262037e+00 6.484391789637223624e+00 5.528162994996705493e+00 8.612688444913606745e+00 1.159949161304579413e+01 9.204663013518448622e+00 7.278041262046028415e+00 8.366281449902023937e+00 4.590484067426042536e+00 6.866600451877345357e+00 9.496209447475072452e+00 8.046471027956167532e+00 7.654041107571525338e+00 1.243092433383750617e+01 1.201317008127397656e+01 1.042688664412431976e+01 8.377854177451842688e+00 1.044839514594069207e+01 1.024055119225688060e+01 6.621155403781675552e+00 7.346318341091647497e+00 1.044833000462583072e+01 9.262580200782670303e+00 1.019326062189322357e+01 1.211978389175992810e+01 9.869014015124841777e+00 7.060348273776147821e+00 1.023328715468327488e+01 1.112218926418005438e+01 8.228587967914940293e+00 9.533980310410671066e+00 1.290436835909870616e+01 1.256173171152934565e+01 1.413365259269401442e+01 1.312977737458878380e+01 1.604781326729067814e+01 1.525931217541652352e+01 1.171719335490267433e+01 1.374901654297685205e+01 1.638199235408774257e+01 1.407615573728852532e+01 1.216933345767649222e+01 1.566340479401343089e+01 1.692433567486862245e+01 1.514452610759283324e+01 1.691899032524729662e+01 1.451344806510734031e+01 1.604350171819149651e+01 1.958560669569033408e+01 1.953271474719808865e+01 1.836875822357391286e+01 1.909609593817967621e+01 1.984668365534638923e+01 1.693945132254656372e+01 1.467704989830048135e+01 1.674813719393024769e+01 1.606144795373021950e+01 1.212270769048025443e+01 1.262846867189827904e+01 1.527667972118607231e+01 1.075461666445078102e+01 1.422745513042028520e+01 1.608802923125293205e+01 1.431401007855993157e+01 1.698049298974523325e+01 1.782207830470951748e+01 2.031537898425054323e+01 1.926538926998662404e+01 2.315518671552342411e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
8 1.946767278611765661e+01 1.962884890763470480e+01 2.532915451181213484e+01 2.655825586327102883e+01 2.105556560753239026e+01 2.134421017318754465e+01 2.165350103491487133e+01 2.440573733689169345e+01 2.323664597266094134e+01 2.021737262707991079e+01 2.465353417117892576e+01 7.199942272603579774e+00 9.702448276822298823e+00 1.110754019695901995e+01 8.636953322569860703e+00 5.392022845532782327e+00 7.866024176423151992e+00 6.509354840291498689e+00 6.105193544146495732e+00 8.553548267981653908e+00 1.149373916124509876e+01 8.978868874260196975e+00 7.395253859605113611e+00 8.130290526151641828e+00 4.556131375826057983e+00 7.100391966117917342e+00 9.368760877154389988e+00 7.415508115608901996e+00 7.677963869417048670e+00 1.208089179571093474e+01 1.138283774253411984e+01 9.902114917506011693e+00 7.999244139212404292e+00 1.046898150159777074e+01 1.010577834105933448e+01 6.504839073528005500e+00 7.404718667432314660e+00 1.032281188559841922e+01 9.198024663656665822e+00 1.027524945987888572e+01 1.205256328800822629e+01 9.404894931951886861e+00 7.072818010928029864e+00 1.046646444609265458e+01 1.158045392617319180e+01 8.873648018540205129e+00 9.843475044932658236e+00 1.340629267629831567e+01 1.310879925427246917e+01 1.458044324836627403e+01 1.353946959813924877e+01 1.625904362930071656e+01 1.557693562806955434e+01 1.173060979009561677e+01 1.300265513472929335e+01 1.567607142574898305e+01 1.362405556254573824e+01 1.126611602614085150e+01 1.475674530015542096e+01 1.582131405182059858e+01 1.431956471159577582e+01 1.612228775905810352e+01 1.376985437677416790e+01 1.516945465317772168e+01 1.862440430453738216e+01 1.905440904415272385e+01 1.790882720336810507e+01 1.850853772022195898e+01 1.920196671150980450e+01 1.606196648374699620e+01 1.383682763840095120e+01 1.611558595181828224e+01 1.526079042991273127e+01 1.145095207882202715e+01 1.156964030199511484e+01 1.446300104289543320e+01 1.007726105229918012e+01 1.380034341371661988e+01 1.589916125075152387e+01 1.389054488383464481e+01 1.650713176448303088e+01 1.727286491473228480e+01 1.965584385196507000e+01 1.840650971914897838e+01 2.284305522720651638e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
9 1.906492526937196175e+01 1.943493464000161453e+01 2.498866947709672459e+01 2.598264977235093909e+01 2.103202305942530970e+01 2.108282816966600137e+01 2.200670261984148723e+01 2.435865849397953298e+01 2.304202025963656197e+01 1.993488102488995040e+01 2.459367257674717067e+01 7.343696474945889285e+00 9.825611658713420127e+00 1.144923168107475675e+01 8.910954634245396022e+00 5.435098490700267071e+00 7.916534120874240799e+00 6.510910682417097028e+00 5.822482260440743573e+00 8.782349037557398930e+00 1.164494855335895629e+01 8.940097701881059677e+00 7.403714850957050508e+00 7.940385680817439784e+00 4.166218963050773105e+00 6.525848975903267402e+00 8.899500586905784161e+00 7.422595011259535802e+00 7.448955392482392135e+00 1.211880525760924954e+01 1.144088784594717012e+01 9.860999074885715032e+00 8.411891032530279588e+00 1.069381965108556010e+01 1.040909199515513706e+01 6.976687562666982423e+00 7.663401798383472574e+00 1.054846210260004646e+01 9.423145169643779795e+00 1.051793126601078399e+01 1.198037993371297105e+01 9.470941063048520903e+00 6.992502305069518087e+00 1.041574819802638352e+01 1.161412447619813726e+01 8.729788032261616593e+00 9.970721728230795833e+00 1.352550262540846582e+01 1.277707386152571623e+01 1.481458268128485578e+01 1.366493849650814774e+01 1.659331857887819339e+01 1.572956921616463788e+01 1.214846264176715174e+01 1.402449426580555247e+01 1.601866942758595869e+01 1.377884116866478337e+01 1.157079832571733746e+01 1.509480763604328679e+01 1.622012311592161637e+01 1.456471149212284644e+01 1.620412703898215412e+01 1.377651358756282995e+01 1.532402972085888848e+01 1.875748972569625295e+01 1.878145833947433019e+01 1.761013219516015127e+01 1.836203811752048054e+01 1.912182078581344769e+01 1.591193364664626486e+01 1.407126368983230513e+01 1.635227314268034604e+01 1.532871130751039246e+01 1.147845568025343965e+01 1.231197432268766079e+01 1.515569096189642373e+01 1.108390647089424697e+01 1.471095609975039409e+01 1.665568346878351136e+01 1.474529881465496040e+01 1.692501440835290794e+01 1.722787556826691713e+01 1.971001729582679829e+01 1.876617727877731312e+01 2.244529874219561805e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
10 1.931552500993832666e+01 1.911171788603411059e+01 2.447333199113711188e+01 2.621046746454006637e+01 2.112794947028232784e+01 2.146794044911695565e+01 2.270695427368060137e+01 2.479942096951703689e+01 2.307479908163157845e+01 2.021692144367045429e+01 2.490531321934054176e+01 6.804151315741227002e+00 9.611156169550747919e+00 1.074364578064962394e+01 8.440527311961300683e+00 5.045295448368702473e+00 7.513773573000629646e+00 6.445026535547218494e+00 5.548138831532798854e+00 8.363264214909793992e+00 1.152926043431442693e+01 9.031886643137957194e+00 7.465945263515994412e+00 8.027663130707065164e+00 4.394783658820502481e+00 6.850397730349552461e+00 8.974339427264952818e+00 7.546151152653193250e+00 7.473482310727840527e+00 1.204869854632016057e+01 1.135610027639699204e+01 1.017678866790938841e+01 8.280341189097466525e+00 1.063733357910510691e+01 9.860478674227843854e+00 6.210132558543993930e+00 7.496075283283496482e+00 1.053572043181858220e+01 9.597704423297940934e+00 1.067959715888726890e+01 1.252102664781839003e+01 1.007979665943921965e+01 7.576162672353076388e+00 1.101347211392416625e+01 1.205977794718456408e+01 9.130083551507146566e+00 1.015553959165764475e+01 1.377624609299097358e+01 1.303293798626590849e+01 1.480381476348130931e+01 1.349633271676447244e+01 1.629764518134704687e+01 1.599771170854136493e+01 1.228148905788940581e+01 1.374305861859842359e+01 1.655205676671523918e+01 1.427600489781828408e+01 1.201991274276115895e+01 1.571777971749209968e+01 1.635278280829917463e+01 1.519598128086680866e+01 1.688740961233395765e+01 1.452460219390711416e+01 1.582781349664498016e+01 1.938960389216081381e+01 1.927989078609210694e+01 1.792731466454994660e+01 1.872386341805467680e+01 1.930161204982641721e+01 1.603486243354706886e+01 1.415510707733804630e+01 1.651419710285084719e+01 1.548634835951076028e+01 1.164540093588897385e+01 1.223051039608679780e+01 1.477359765565219263e+01 1.067440221191459671e+01 1.446195174186542687e+01 1.659866498575832239e+01 1.440412153084825242e+01 1.692566614917855361e+01 1.757140845322481582e+01 2.006342582431670252e+01 1.877009376793353113e+01 2.282783941211010870e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
11 1.991686548443550109e+01 1.980598847824883180e+01 2.521216671495848516e+01 2.624457800088586268e+01 2.116901813277738142e+01 2.152032726310820365e+01 2.227793163268574972e+01 2.481150025073015897e+01 2.316457014875517828e+01 2.005527801196710769e+01 2.497482117009924707e+01 7.038602094108650675e+00 9.791214269316977692e+00 1.126470543657031875e+01 8.816484916280147743e+00 5.435243641230713685e+00 7.894984990098705246e+00 6.384586147078985974e+00 6.003413705508695131e+00 8.568147501874419092e+00 1.139102233306486944e+01 9.268944365480432879e+00 7.361355273439615488e+00 8.304407721676163590e+00 4.640024794645527528e+00 6.426754203190260917e+00 8.941008272939306778e+00 7.434575929329648503e+00 7.686210484077093952e+00 1.235194823822353882e+01 1.167082894055964282e+01 1.003232447453188669e+01 7.873084287761292543e+00 1.018155545200854561e+01 9.846695603354341131e+00 6.218643706602652088e+00 7.503979530702485690e+00 1.049076502327773319e+01 9.374161028894013370e+00 1.029640442519732346e+01 1.210922100521645639e+01 9.775820818742401386e+00 6.914939677834658127e+00 1.022369201730795041e+01 1.129207678496641343e+01 8.300451702098582629e+00 9.527941001896927276e+00 1.296845184831600761e+01 1.244590099377054493e+01 1.406831529423128480e+01 1.289442878502278589e+01 1.607091829174654052e+01 1.536096665854024046e+01 1.179725785177435959e+01 1.377603499596194858e+01 1.609915016987947567e+01 1.409673422268592624e+01 1.203682757974094386e+01 1.565840630426040825e+01 1.629257998253456563e+01 1.511609188823936023e+01 1.675626191368223772e+01 1.443933283313386795e+01 1.602150960860295115e+01 1.946211211592682488e+01 1.974930459610497380e+01 1.819566784341639831e+01 1.846070606560762783e+01 1.916495967628238972e+01 1.602719458691729315e+01 1.376303785144729908e+01 1.595801790387040775e+01 1.545619665723863356e+01 1.153924398717111366e+01 1.221778075907589667e+01 1.503217936280626432e+01 1.103359484120830381e+01 1.462087206546664397e+01 1.643920008924663279e+01 1.433888128649381777e+01 1.735930622153118819e+01 1.784036996539073172e+01 2.002923427323691996e+01 1.874351856207792366e+01 2.307395840252458896e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
12 1.937174830230736333e+01 1.939169960423773986e+01 2.516978882768546200e+01 2.652489388594715791e+01 2.114994529482244445e+01 2.148930500060712134e+01 2.181289779810085960e+01 2.494073363700545798e+01 2.374754938792894166e+01 2.068188697489225802e+01 2.543946792819548008e+01 7.733306071597387366e+00 1.052353641066441270e+01 1.183566919333522272e+01 9.327995489130215034e+00 6.130810299068182090e+00 8.796372596190023430e+00 6.857376081703902670e+00 6.231579045601762346e+00 8.690074863461074273e+00 1.147101788744878448e+01 8.400514501820804725e+00 7.389339229849686497e+00 7.642051067738762526e+00 4.134506506524227909e+00 6.969402174984939080e+00 9.026951162456349209e+00 7.357928448159849921e+00 7.627252624950747517e+00 1.196569020283389584e+01 1.142633216544164299e+01 1.034425737384807853e+01 8.074894958590210337e+00 1.072740928936214999e+01 1.017490380893147162e+01 6.577218129222540455e+00 8.025591299253894917e+00 1.055011425012398618e+01 8.712217017817641462e+00 9.807504756860653927e+00 1.149012380155823365e+01 8.961954054649568846e+00 6.544299877371531515e+00 1.002552618492772574e+01 1.093819194064832168e+01 8.248906996474918429e+00 9.162472583482566435e+00 1.263805664093812275e+01 1.254945422797039889e+01 1.396576721469001470e+01 1.247420731272443817e+01 1.538004593114717977e+01 1.507804514650448624e+01 1.133969994857673846e+01 1.284218254816872395e+01 1.549894193739849513e+01 1.353377093621460858e+01 1.078306469684480007e+01 1.433448032919374349e+01 1.520258339820302496e+01 1.417216084727375858e+01 1.620566976447765128e+01 1.372809057523365794e+01 1.508484553064382006e+01 1.863401219888264748e+01 1.934080444011713595e+01 1.769626762937589248e+01 1.805800577216053426e+01 1.897236496439979447e+01 1.606829792934843226e+01 1.341915297283538777e+01 1.551078512236094298e+01 1.497058017043388922e+01 1.112031681356617163e+01 1.141722550431977545e+01 1.433965255017959173e+01 1.009712608803553557e+01 1.368444983815503413e+01 1.608856595356396824e+01 1.397723941474647091e+01 1.632967946757790045e+01 1.725612223791530653e+01 1.955424446668924077e+01 1.833634795181884769e+01 2.258056232595411217e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
13 1.933791385242512817e+01 1.965897847090372252e+01 2.515088048757012018e+01 2.615024410557436596e+01 2.120438279717823704e+01 2.091846284172753911e+01 2.141495263875189181e+01 2.441796443445082332e+01 2.302273572349517394e+01 1.999464122754665851e+01 2.511959645435158350e+01 7.758007576708712882e+00 1.057966568138018992e+01 1.178144937997469377e+01 9.192994535947876855e+00 6.207691629857792215e+00 8.676275073943696015e+00 6.452647107239516622e+00 5.896279673682170319e+00 8.489270928916246461e+00 1.130157392569517505e+01 8.573649987038560738e+00 7.428189106477946169e+00 7.902838259921185937e+00 4.255072961851146474e+00 7.004999550005701181e+00 8.980922430108806864e+00 7.242328318592741176e+00 7.411561241501974706e+00 1.211639453430884927e+01 1.122387364364915108e+01 9.985394388050508496e+00 8.239316634201728107e+00 1.049829219710983530e+01 9.819137296807276982e+00 6.124082983635961597e+00 7.610141533209437092e+00 1.050531062600696508e+01 9.115730583667700060e+00 1.067475243091253034e+01 1.162552845830814263e+01 8.672247752522983077e+00 6.533405906248752615e+00 1.005343791882840421e+01 1.112472879975636708e+01 8.216362449364318365e+00 9.358900325957177913e+00 1.287225894250113178e+01 1.255874827987418207e+01 1.395818145281866052e+01 1.313065243183045183e+01 1.579896988457069895e+01 1.520701578306204560e+01 1.146625297213405403e+01 1.350875812826701505e+01 1.570375619020365754e+01 1.298796747242002780e+01 1.066342601649641786e+01 1.405597776567681478e+01 1.515812208617770551e+01 1.398741294563346749e+01 1.595390575283245127e+01 1.392502489715306524e+01 1.532507608351902206e+01 1.880706668595148301e+01 1.884213522821666587e+01 1.748245667093525313e+01 1.822101438009351781e+01 1.877800633579715495e+01 1.584010324243822865e+01 1.345481486657745407e+01 1.553597428512023981e+01 1.509343544685124350e+01 1.113736746014832946e+01 1.153338498024278103e+01 1.430879803187344912e+01 1.007563328229279342e+01 1.361025508943345841e+01 1.554572343780741583e+01 1.369524623824514009e+01 1.635204820949832794e+01 1.706691671129193821e+01 1.946731282952001862e+01 1.822596095201908994e+01 2.211768009153175996e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
14 1.987095178458465483e+01 1.994313385601583377e+01 2.553353265000670902e+01 2.639731623674790484e+01 2.144381356505913416e+01 2.124795557038424576e+01 2.204862521704339784e+01 2.495839988771290407e+01 2.337286050639062296e+01 2.044261868739470955e+01 2.465681744660087915e+01 7.471532260770636036e+00 9.987814302199376826e+00 1.146626142680307225e+01 8.784551965690951647e+00 5.762616378569213715e+00 8.514643951964742996e+00 6.264758855712059926e+00 6.045332049644223105e+00 8.611528750285968314e+00 1.124760938779046882e+01 8.608107588322946313e+00 7.090021806799657433e+00 8.233547534622280395e+00 4.730414836024168679e+00 7.197188972625636616e+00 9.674207170437265191e+00 8.050566551695890638e+00 8.146247247657957047e+00 1.249735754918951613e+01 1.161878468853580237e+01 1.023806633774775676e+01 8.341103594373194596e+00 1.055623642536060736e+01 1.006361160935657395e+01 6.390282079354250300e+00 7.136984843728622074e+00 1.005807739132786160e+01 8.689457514152834960e+00 9.938647740447519752e+00 1.141805545899947916e+01 8.799564013778322646e+00 6.376218046024376029e+00 9.751592518258441089e+00 1.076905752820498918e+01 8.135491147774407850e+00 9.364172396774934626e+00 1.277198329660665976e+01 1.197683634429625599e+01 1.344756495451402500e+01 1.324965430779717046e+01 1.544322904289099441e+01 1.455798687473996189e+01 1.089761344764902162e+01 1.264358347249044279e+01 1.510765143147360767e+01 1.286964474274457437e+01 1.030527831144607376e+01 1.366674529056424703e+01 1.515444353915130549e+01 1.397285823087758239e+01 1.600386663898424544e+01 1.392246435707851759e+01 1.536398958284602223e+01 1.860380332216859500e+01 1.897415365836105039e+01 1.801196778937930887e+01 1.828198079694183420e+01 1.908212034683712233e+01 1.639536215091120397e+01 1.404687748072935527e+01 1.637136693076935856e+01 1.580850535832314563e+01 1.195772696268301161e+01 1.177721680318723685e+01 1.473572717617868122e+01 1.040866750194081902e+01 1.361966007435879256e+01 1.575202590066719743e+01 1.380131771447312516e+01 1.683564205883837417e+01 1.752740922788192890e+01 1.999658253570603961e+01 1.873065260915712926e+01 2.262599720611747145e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
15 1.972866993210453401e+01 1.995215064576256836e+01 2.511460389748934219e+01 2.627914203511329561e+01 2.140528302882886535e+01 2.151185685168280770e+01 2.178060714416459476e+01 2.484113892844504434e+01 2.341555064067253866e+01 2.022744688658126222e+01 2.446561999958469258e+01 7.301352532920758698e+00 9.901379230494606887e+00 1.101705985731456749e+01 8.770486384942916658e+00 5.430949517573021801e+00 8.135790937733595740e+00 6.464318581795793328e+00 5.818491804125358158e+00 8.765701755658973582e+00 1.162792532815756097e+01 9.120335111968087105e+00 7.149675378908101564e+00 8.231681076773957884e+00 4.488612005982123954e+00 6.890690151297192756e+00 9.316575458269161558e+00 7.832895658000760264e+00 7.607270420318464232e+00 1.233213702215044272e+01 1.120546886303140610e+01 9.717487959860779512e+00 7.903315749635573262e+00 1.047526406852444758e+01 9.877982952936148919e+00 6.081721376685650604e+00 7.253002376813043384e+00 1.003746462755248281e+01 9.463725363681758651e+00 1.033960080695966255e+01 1.181602093494913142e+01 9.388296565973345054e+00 6.781711788807159635e+00 1.016071679576305975e+01 1.140458943633479905e+01 8.551456440288037086e+00 9.234642692345095938e+00 1.287840201916670324e+01 1.258580119516972751e+01 1.447476798946247634e+01 1.360187376750561228e+01 1.667243101524867299e+01 1.605567146979892712e+01 1.234941485970892217e+01 1.432603920362085859e+01 1.644893824396963922e+01 1.398242706924287404e+01 1.153206117133424868e+01 1.496362494423863332e+01 1.574004655102187478e+01 1.482751248485122808e+01 1.676611936197991781e+01 1.441870578953177073e+01 1.595444782318791077e+01 1.945411548271917113e+01 1.948366512631081804e+01 1.808754874554526282e+01 1.885556113786444499e+01 1.944725573502752880e+01 1.634178996294444985e+01 1.441536044407059336e+01 1.662033800535548522e+01 1.569309355507546933e+01 1.177394585779066460e+01 1.235082307259917833e+01 1.515163191658642461e+01 1.104121957912721186e+01 1.474021441200392069e+01 1.655923270008708670e+01 1.455052743908497526e+01 1.740086461115558336e+01 1.783996912386848166e+01 2.013658738391681879e+01 1.878218761397253544e+01 2.229243301211385386e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
16 1.951448305746825085e+01 1.962307888124812294e+01 2.465674447689986337e+01 2.598358512231041217e+01 2.111165348082005266e+01 2.142155788887258794e+01 2.205068408750118181e+01 2.490564416915653823e+01 2.347813752384350749e+01 2.004873190091026203e+01 2.487811128020254614e+01 7.852493437612772631e+00 1.074393568094778395e+01 1.176376261565181380e+01 9.351602649885895957e+00 6.321336285498476038e+00 9.099606397656993195e+00 6.511387284157732047e+00 6.453954484801831093e+00 8.854855110404947993e+00 1.156670874646080449e+01 8.465393113454327434e+00 7.503244323717106035e+00 7.539762926728652559e+00 3.922442387507931727e+00 6.577549022824082492e+00 9.083809377775391880e+00 7.657946361912184585e+00 7.856114588069016413e+00 1.231967884512904021e+01 1.177863006248675859e+01 1.086217567175292587e+01 8.783130724158487723e+00 1.110355443126042019e+01 1.026272944676033561e+01 6.416305558709593626e+00 7.558614593258542236e+00 1.024758117656874390e+01 8.825574967839855844e+00 9.965735135148539925e+00 1.137785079671963651e+01 8.700116675792466836e+00 6.239630099089966464e+00 9.607749435421077067e+00 1.041428303019895196e+01 7.870159248261467511e+00 9.009391879768166689e+00 1.251432455340230376e+01 1.220182187474308932e+01 1.347550489257263351e+01 1.285240119590583951e+01 1.537231137922233160e+01 1.461135310883248373e+01 1.094534217004168042e+01 1.308790032734070152e+01 1.527055724790943181e+01 1.275572918672452616e+01 1.075851522904313562e+01 1.443118840372699729e+01 1.504639337721115133e+01 1.404064895335347884e+01 1.569430551053299716e+01 1.367619160922886579e+01 1.505663506722586220e+01 1.850360009699062047e+01 1.838485713762992191e+01 1.740799455210125757e+01 1.795990536106696212e+01 1.871477193134902706e+01 1.577672525523022529e+01 1.336105476084419408e+01 1.532471174358517985e+01 1.500700550606286221e+01 1.115522883248714514e+01 1.162853703502768532e+01 1.444278474029913362e+01 1.020413464850608065e+01 1.362348024021986959e+01 1.567137229823434197e+01 1.363904516867799188e+01 1.636468600731471312e+01 1.720979882045881126e+01 1.963112864956163151e+01 1.854362099897950600e+01 2.208561686145192837e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
17 1.923764566292705780e+01 1.978833658228692727e+01 2.484907336656244681e+01 2.569850677366065739e+01 2.071905615735275674e+01 2.065864352374520507e+01 2.102879956860981991e+01 2.399002848122567499e+01 2.294552510692162883e+01 1.971005776825539968e+01 2.461471442057865389e+01 7.378717597955153806e+00 1.004478116922210518e+01 1.117899954457397804e+01 8.609552213101869356e+00 5.628144109059277866e+00 8.435045430287043899e+00 6.810874489372952034e+00 6.521338834360777881e+00 8.580373225073998356e+00 1.149566525340788736e+01 8.903433645796519968e+00 7.110100201477681736e+00 8.126788012095008895e+00 4.431471657060549241e+00 6.785137563143100792e+00 9.093370662754693967e+00 7.438593566455338646e+00 7.407152165885700690e+00 1.170855208211545140e+01 1.109430790404502964e+01 9.782151815906699355e+00 8.111196470808287984e+00 1.064001071479656879e+01 9.759848189120152284e+00 5.979426559262525309e+00 7.328391448649504980e+00 1.017842117982971573e+01 9.321807668079053144e+00 1.076899273086557152e+01 1.210124911828350136e+01 9.479907573521316522e+00 6.993793955623145209e+00 1.031320933650746952e+01 1.110097213351774847e+01 8.347078870633676928e+00 9.676622213108124981e+00 1.313214612849614049e+01 1.264208560471583276e+01 1.395442088454421636e+01 1.324296178932050516e+01 1.560421589824709443e+01 1.506437507085844096e+01 1.140013233238176404e+01 1.329343631091730060e+01 1.580053550544055696e+01 1.352443231183739591e+01 1.101821458118498853e+01 1.444174638237584141e+01 1.558000398501759243e+01 1.414458454560436884e+01 1.623964094308996309e+01 1.391447120180482777e+01 1.528899675621635801e+01 1.860452243268018435e+01 1.904400707427453909e+01 1.740713837099757200e+01 1.806864181097120081e+01 1.883847044683101402e+01 1.565881044148664891e+01 1.350752617355430907e+01 1.589148519121211223e+01 1.485422731983991795e+01 1.105958893098458695e+01 1.167572108613201110e+01 1.451305221319825023e+01 1.022300580442384721e+01 1.372413205864436669e+01 1.603436374004801834e+01 1.406360822008304545e+01 1.661518167968421622e+01 1.695274373341716512e+01 1.958317477019922848e+01 1.869019058651973708e+01 2.201236330931966023e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
18 1.969389878869243660e+01 1.962552217898905482e+01 2.495841868769129590e+01 2.606175599444948077e+01 2.109049739776867582e+01 2.101370216270252911e+01 2.115941315735588546e+01 2.395871621087509951e+01 2.243419015056241861e+01 1.955900938129807898e+01 2.407217701902238360e+01 7.752127499046006953e+00 1.050829196050804981e+01 1.163113288416253255e+01 8.990216748146474757e+00 5.790934102701532638e+00 8.259913932607613418e+00 6.530275378182645696e+00 6.367355408103077430e+00 8.781850793698650293e+00 1.163327526673394097e+01 8.876177462731185130e+00 7.288563970282008420e+00 7.805600820546796825e+00 4.042667735687190955e+00 6.755911880657487600e+00 8.834747517649830684e+00 7.128932821565632239e+00 7.556110948468154120e+00 1.179920030739777914e+01 1.122626533119081849e+01 1.034042322265428737e+01 8.738884515074705206e+00 1.082221345650963329e+01 1.007512931644860465e+01 6.352725092615489899e+00 7.476318367192720693e+00 1.012041728743940183e+01 8.707578805587143478e+00 1.040937424036253489e+01 1.171067670609232358e+01 8.962175245345502361e+00 6.531168735438144246e+00 1.008717555939706756e+01 1.110011201390773294e+01 8.455538411833471102e+00 9.401086553718387862e+00 1.292640815276372201e+01 1.282524273118862190e+01 1.394065831153755219e+01 1.322404454216821179e+01 1.568032731382819200e+01 1.486749777229034564e+01 1.121472623720326212e+01 1.319384046612811723e+01 1.564135463066190646e+01 1.332453006072719326e+01 1.116195103642021635e+01 1.486006247690882276e+01 1.579102221719631061e+01 1.452295206543262651e+01 1.620186419664309696e+01 1.402184731367133352e+01 1.545942980749096662e+01 1.889289268555017998e+01 1.879231729733029255e+01 1.751916596840695917e+01 1.805345120589909769e+01 1.876062018574494061e+01 1.595787788536170204e+01 1.361549387244020792e+01 1.543253093600047521e+01 1.523469220771031374e+01 1.135329686677753891e+01 1.129259327787289635e+01 1.407615922212115223e+01 9.896803885546598067e+00 1.337928966100196426e+01 1.544264134432209445e+01 1.359111839037766067e+01 1.649901058965119560e+01 1.731767733533467535e+01 1.967008643497428722e+01 1.858068971275628201e+01 2.225695048386025476e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
19 1.975386092011958894e+01 2.006836498521072087e+01 2.505639837553331617e+01 2.592204847237588794e+01 2.096373362293637399e+01 2.128618338410949917e+01 2.086355263603248389e+01 2.398260553801353723e+01 2.265528553466428008e+01 1.954699590754832528e+01 2.401624544529920868e+01 7.567895789465251433e+00 1.037004293341571248e+01 1.139391312948866819e+01 8.733305772442319537e+00 5.789064453959678502e+00 8.501698167427655051e+00 6.895915943265143788e+00 6.647265607133580723e+00 9.251005235779432567e+00 1.172521477493489428e+01 8.667173623834541374e+00 7.233205935058090397e+00 7.872609077732650285e+00 4.105199522249691313e+00 6.713692783076131043e+00 8.933283271203581677e+00 7.222962926614021839e+00 7.315657818051500172e+00 1.155852299724208088e+01 1.088341690064927114e+01 1.027917314467125287e+01 8.352998167723891143e+00 1.083109525522742622e+01 1.018918813464267714e+01 6.559819635299986906e+00 7.605942560223025062e+00 1.055273982162553459e+01 9.350319731497267028e+00 1.047105528122679807e+01 1.170146518181943485e+01 9.264267155251372898e+00 6.508795477812554076e+00 9.857099951865494702e+00 1.092136034865827376e+01 8.295140151698577213e+00 9.417630048218265770e+00 1.285210862619581818e+01 1.250489839616554200e+01 1.414933156237147394e+01 1.293368822655669170e+01 1.566409952365691183e+01 1.521893080644865215e+01 1.148759845123395351e+01 1.306071493161704034e+01 1.568067541807080190e+01 1.349887599907598279e+01 1.130419336000352892e+01 1.481982619893712538e+01 1.600180780529263203e+01 1.465896713970861676e+01 1.649647557140561105e+01 1.415693065537006312e+01 1.558467194612635431e+01 1.891864074065211199e+01 1.895202620133077431e+01 1.747756530409041531e+01 1.787731822383105751e+01 1.859965797313589420e+01 1.574705661888980401e+01 1.348467106915061819e+01 1.560137823167446491e+01 1.508141921890767279e+01 1.117670349397949536e+01 1.174963643907348043e+01 1.458210536153134740e+01 1.043874864352511622e+01 1.397028670429876485e+01 1.584936073793537226e+01 1.406551654335941670e+01 1.658474362049168249e+01 1.678202637138506503e+01 1.911204547098958884e+01 1.789651954559631264e+01 2.175959014088203602e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
20 2.017459841691144362e+01 1.949810464290301582e+01 2.436004979681655414e+01 2.592503325204706144e+01 2.118094047095954124e+01 2.141534805927450336e+01 2.170352153160593289e+01 2.469558033342664061e+01 2.306235831064384456e+01 1.934801790178513770e+01 2.409514973149596528e+01 7.376456351909997267e+00 1.008567515519688307e+01 1.116868090606191899e+01 8.690182875462898693e+00 5.405652145243882600e+00 8.126634723239840596e+00 6.911830695084494991e+00 5.914677969124879198e+00 8.968280909981780624e+00 1.162172024935766146e+01 8.705217929191176651e+00 7.341065682559896999e+00 8.310905331219277770e+00 4.686432992021959620e+00 6.922900381189935004e+00 9.247087061611901859e+00 7.712593769654374043e+00 7.622447534185659457e+00 1.184504431649746437e+01 1.094238677661592973e+01 9.636138115824316230e+00 8.139533921857958987e+00 1.049628254528113835e+01 9.782732060157922405e+00 6.212053669947927403e+00 7.174823232118184180e+00 1.016329064824513040e+01 9.615441294824528029e+00 1.045544005755612815e+01 1.202932804609059581e+01 9.608299577127569435e+00 6.989555903589748986e+00 1.039749760561225500e+01 1.143653764491685543e+01 8.460264209422344805e+00 9.890010809880417142e+00 1.342475372223809593e+01 1.300577853178593735e+01 1.441266972994233875e+01 1.326716087794640941e+01 1.629206181535589693e+01 1.549688252138020950e+01 1.173909871788156423e+01 1.360990530584803793e+01 1.628538742695138808e+01 1.380236176763797573e+01 1.179938873906921515e+01 1.536972957844509935e+01 1.632955910549989298e+01 1.461059505733612340e+01 1.641482900425067015e+01 1.419720912787700584e+01 1.547898866006872076e+01 1.892789844875174765e+01 1.868302873653669849e+01 1.763679801217432797e+01 1.858477994467266470e+01 1.936910160622024435e+01 1.602173978427445178e+01 1.400620360042813672e+01 1.633726350946389516e+01 1.567246210375469495e+01 1.183420090516533740e+01 1.204171332404685835e+01 1.510468610651600407e+01 1.053383364956401280e+01 1.413396811102849959e+01 1.594923537321336227e+01 1.404978603513866453e+01 1.674717601357171404e+01 1.719283541003459348e+01 1.987198490454198563e+01 1.891720238797249465e+01 2.263374920553916070e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
21 1.982416019031074939e+01 1.973653697372390070e+01 2.514772148692226139e+01 2.611057549590730531e+01 2.147546181253895980e+01 2.126534126420940041e+01 2.125417705636503030e+01 2.447229831658207644e+01 2.340921031427533094e+01 2.021666124642486295e+01 2.466683823390974695e+01 7.373117290256155698e+00 1.027434694041956043e+01 1.157018345221379718e+01 8.849198948006911536e+00 5.722071182200203054e+00 8.455824229739786091e+00 6.449448067674061313e+00 5.697703834129166367e+00 9.011913798500684081e+00 1.178450195980743942e+01 8.905483703352386371e+00 7.685338921813015922e+00 7.957625626409262409e+00 4.368801093772567867e+00 7.159061424776818505e+00 9.092643259038911907e+00 6.976003151126151103e+00 7.438986701799660928e+00 1.194485649789941561e+01 1.117485415875928290e+01 1.035939932181166157e+01 8.564483837196023686e+00 1.105018543453463487e+01 1.030439520600580749e+01 6.785751487116311154e+00 8.056150375135805675e+00 1.068805286862726689e+01 8.786626288539400420e+00 9.777782871720331670e+00 1.139292760291075979e+01 9.015409787819354648e+00 6.266954784919867905e+00 9.543926061202840927e+00 1.055259071851187613e+01 7.753193484139137226e+00 8.935332593453619410e+00 1.255664619430327100e+01 1.224401789082524772e+01 1.380252535970711847e+01 1.304652093458375184e+01 1.612322563064759606e+01 1.522162325533338212e+01 1.147727493837329504e+01 1.354616577163255897e+01 1.556627352075864756e+01 1.328653799983644745e+01 1.137772176755408537e+01 1.498552851175213796e+01 1.630782344918391757e+01 1.427261273423317434e+01 1.612297338155648418e+01 1.381463922500278763e+01 1.559861563084121627e+01 1.908378471845720981e+01 1.919708099430418713e+01 1.765611711156633135e+01 1.812268798766893951e+01 1.876807136502099027e+01 1.567134944322007684e+01 1.371824789943067913e+01 1.597650100027060205e+01 1.526810756898618138e+01 1.136814438108980418e+01 1.205735303891882637e+01 1.487486023782599887e+01 1.062516303372493098e+01 1.407793869437613310e+01 1.615593918214473490e+01 1.424459464021350286e+01 1.670810211451217597e+01 1.723128641530073324e+01 1.987141355677829679e+01 1.842153477225520319e+01 2.239571258214490612e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
22 1.976008460369108022e+01 1.983261448803311211e+01 2.459579736678455220e+01 2.587161287586196323e+01 2.102918430287688523e+01 2.121391708837212775e+01 2.110420117764737569e+01 2.402888581219486142e+01 2.258931902068001563e+01 1.998705229208876588e+01 2.401200275147900243e+01 7.180015444478272002e+00 1.007004587793744932e+01 1.148377107921091955e+01 9.081153797736876143e+00 5.744595919332532219e+00 8.164733802612754943e+00 6.557992581826742828e+00 5.908358194504805816e+00 8.865197055647728419e+00 1.161402949541202290e+01 9.067830317528184025e+00 7.326076371025902034e+00 8.352997788584605843e+00 4.573061013377255790e+00 6.642942526896471023e+00 9.135002266323922981e+00 7.418779204742040889e+00 7.443063165033101392e+00 1.173602569518525307e+01 1.104355207287843577e+01 9.675764138051125229e+00 7.922009521867261483e+00 1.053924437922690416e+01 9.869931562342607378e+00 6.334202166074005547e+00 7.804182377881224930e+00 1.050526985256433221e+01 9.419593271706629523e+00 1.073257292588809797e+01 1.209147540010678590e+01 9.812012562717029596e+00 7.139659036390923141e+00 1.043487609811695194e+01 1.162459734178186999e+01 8.810935186891573068e+00 9.779805510628008847e+00 1.337671467250038049e+01 1.309603990389276440e+01 1.463148405911369387e+01 1.350742721343229213e+01 1.641342567342478631e+01 1.590475513441262478e+01 1.223515982910772770e+01 1.379548951170343862e+01 1.620146042547770548e+01 1.410049844518238871e+01 1.193637285077796051e+01 1.543177288521674129e+01 1.677560952923380455e+01 1.512462030960084824e+01 1.657798995901923789e+01 1.422112285369317775e+01 1.578739656156653481e+01 1.920195386389031356e+01 1.919387780426378143e+01 1.771166811536386021e+01 1.827936548292093022e+01 1.903701076603828568e+01 1.572957768178308768e+01 1.380306452532700057e+01 1.615026414161942014e+01 1.547108645930478765e+01 1.159989840057485821e+01 1.276504171513899522e+01 1.549473396441385376e+01 1.137202828305097846e+01 1.510014904814351588e+01 1.670871766952433646e+01 1.452496556618618406e+01 1.699631337248236918e+01 1.777644590467642871e+01 2.024002032932331829e+01 1.858033776146352878e+01 2.290035508956934152e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
23 1.974056321867426078e+01 1.932822596668514237e+01 2.467044766524748667e+01 2.584621335990339119e+01 2.079803414142125462e+01 2.063555948290466802e+01 2.076526818886271641e+01 2.386943280615523832e+01 2.268617972826554663e+01 1.990659223430412439e+01 2.412688509766776335e+01 7.610925174082431077e+00 1.045067090601534332e+01 1.201530554600721779e+01 9.363527759006005979e+00 6.147453502169067718e+00 8.881120879090561360e+00 6.827484250421938405e+00 5.930689221421017621e+00 8.785827587528469707e+00 1.160005208047269498e+01 8.653475332481429305e+00 7.023919032883252811e+00 7.438381629859609490e+00 3.990597270177740352e+00 7.102406256182788091e+00 8.951383563044732483e+00 7.076301675501122546e+00 7.529181071929824220e+00 1.174686718464718993e+01 1.107159922876975600e+01 1.023245440263376693e+01 8.545847902838804799e+00 1.065754418322086394e+01 9.990469144799199341e+00 6.359961184390586553e+00 7.467432254564781324e+00 1.029209658169290975e+01 9.259562341369621308e+00 1.028790087575172052e+01 1.191071612621144560e+01 9.152016547485715137e+00 6.633819064837674695e+00 1.021969729979554486e+01 1.114298716751602036e+01 8.399629382914019615e+00 9.789678610346687293e+00 1.325087858413997566e+01 1.286881706469270448e+01 1.429481756928239555e+01 1.319904559870410488e+01 1.602899440753842697e+01 1.564745196869003507e+01 1.177612644133895081e+01 1.280594445548157800e+01 1.542734223063943766e+01 1.315244580887077497e+01 1.090298183884966754e+01 1.447138706794648577e+01 1.543665016479320151e+01 1.394758714414945899e+01 1.596703112308002659e+01 1.355588194258714907e+01 1.522924156580372035e+01 1.848785861020370902e+01 1.834697104359184294e+01 1.722449255939649504e+01 1.808854664100528709e+01 1.874951402440060377e+01 1.567863073290848952e+01 1.302115269076477766e+01 1.529907673765436193e+01 1.502340528427729183e+01 1.114373021031345345e+01 1.155077312587662774e+01 1.420281575023727605e+01 1.027649550622176378e+01 1.379616639392085453e+01 1.589018091792786080e+01 1.447283748843356221e+01 1.674888530642986950e+01 1.758339226882523221e+01 2.009650083720117664e+01 1.837022159370578223e+01 2.188812037633623220e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
24 1.971988930686834962e+01 2.022217261199375216e+01 2.528331900784450781e+01 2.585401363751608628e+01 2.082839377590578778e+01 2.020796529837636513e+01 2.018371537404107841e+01 2.349994987008131631e+01 2.244142403469727043e+01 1.999615293222226242e+01 2.408295963182778721e+01 7.858480412132448301e+00 1.050128396004654796e+01 1.154132508376581967e+01 8.958574305416272310e+00 5.971054745069411140e+00 8.515410930409476720e+00 6.793653468599628376e+00 5.761906044699590446e+00 8.642015554804377331e+00 1.148895304755159863e+01 8.720600192057053945e+00 7.343763593553140900e+00 8.045237173301794442e+00 4.446585436571239391e+00 7.237909667784620638e+00 9.144465933815311587e+00 7.568240680711746826e+00 8.057677516251759542e+00 1.224864486512046291e+01 1.109688410895810406e+01 1.064720852083977221e+01 9.009889372654267703e+00 1.077199560181131766e+01 9.759438373026787517e+00 6.121878914128082272e+00 7.715962622804131144e+00 1.033024513463939975e+01 9.058584786555341495e+00 1.049051996202956083e+01 1.160345946853028920e+01 8.910703041197120200e+00 6.680014284148815484e+00 1.008971943434501917e+01 1.085096137127605864e+01 8.076019954350950769e+00 9.261772034290812528e+00 1.278978205419217495e+01 1.220748504376764920e+01 1.350715680314775824e+01 1.270422910198277044e+01 1.558691550750470256e+01 1.505492074587561646e+01 1.135608607855812302e+01 1.279439205076764985e+01 1.527885636551530801e+01 1.302638718062211076e+01 1.101369955465514572e+01 1.461804466299271610e+01 1.579274563138315557e+01 1.414582130852772579e+01 1.625036386758474904e+01 1.393897192171312049e+01 1.565778947102761087e+01 1.904061302005901624e+01 1.861118700325088327e+01 1.747648134587701918e+01 1.813940359388770318e+01 1.887003388881677779e+01 1.572621444267060475e+01 1.350111841874161200e+01 1.561569968484522519e+01 1.511197153354642886e+01 1.126009822350281731e+01 1.122901308776369511e+01 1.425645930726587096e+01 9.851695222847858702e+00 1.302621064326070588e+01 1.533984367000313753e+01 1.356998812206595417e+01 1.630767198207005109e+01 1.717886902453307485e+01 1.965086691204093938e+01 1.820593353538667358e+01 2.211836178498768746e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
25 2.015879217772712551e+01 1.943653729506258543e+01 2.475415214958427867e+01 2.557959978373650145e+01 2.089018506263523633e+01 2.100717668544128003e+01 2.097603619655766849e+01 2.391648149674548307e+01 2.247556626526682422e+01 2.010227982567700522e+01 2.438551388114401064e+01 8.208839641864679848e+00 1.111010746855610343e+01 1.237681599178168668e+01 9.661925351827482800e+00 6.525229456780135884e+00 8.990388695119630569e+00 6.729511683822864576e+00 6.153552900649740032e+00 8.367980267750269263e+00 1.129523372944782089e+01 8.265362557261536125e+00 7.231920311073510632e+00 7.481424458351521700e+00 4.197642160404092770e+00 7.275248283965802365e+00 9.241030713044661837e+00 7.423442617172606894e+00 7.904570606367953722e+00 1.196966767726447145e+01 1.141489002810473785e+01 1.071548823681560059e+01 9.088914773743972830e+00 1.116179879652092666e+01 1.030547880692615514e+01 6.650980929447544376e+00 7.992595036681747978e+00 1.061109241056003683e+01 8.875138713789656464e+00 1.003828241478462147e+01 1.168899724958957975e+01 8.664285809507411784e+00 6.377617216711224835e+00 9.933022701241208452e+00 1.059765971701935783e+01 7.721983551362022524e+00 9.223360349351336751e+00 1.260851884518404908e+01 1.192161974190994123e+01 1.314964029580757732e+01 1.215942634920329901e+01 1.507422255208217976e+01 1.465253705024236019e+01 1.106394096043534248e+01 1.283473889147628277e+01 1.537236399073299609e+01 1.318268351698611873e+01 1.093690451395835872e+01 1.460915474423386051e+01 1.608205031359457138e+01 1.424378023779510194e+01 1.623277526898638357e+01 1.389604970642403536e+01 1.530564101685390277e+01 1.861896317384640298e+01 1.846882722257180021e+01 1.727367401639300581e+01 1.793965539374522322e+01 1.860100953514739786e+01 1.553885024054757835e+01 1.347398645551440310e+01 1.536249222381787405e+01 1.475001885999779816e+01 1.092070487388421540e+01 1.100434513276046644e+01 1.406709785221541686e+01 9.761982596518745225e+00 1.331031321858575289e+01 1.523985442300657844e+01 1.309841972567939017e+01 1.573564490791737036e+01 1.671446919715836188e+01 1.916439809704530006e+01 1.827222635367448333e+01 2.176829161311882999e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
26 1.941028395041165666e+01 1.894536143050854449e+01 2.422560294651568569e+01 2.536624914992895441e+01 2.043729680679965810e+01 2.083809922945717830e+01 2.085925210074493563e+01 2.341060187957356220e+01 2.202301186654696252e+01 1.957708985647556688e+01 2.353444172704422144e+01 7.249827327219845685e+00 9.462588894690112440e+00 1.099506708837597557e+01 8.585012921775350136e+00 5.462577176842814630e+00 7.889379889092348108e+00 6.511157068336434151e+00 5.428225207058576807e+00 8.961083738979683133e+00 1.174859316922766972e+01 9.531650509679817418e+00 7.515642498547447481e+00 7.988593243349503936e+00 4.188426583747560272e+00 6.397346820648838417e+00 8.565132417469039083e+00 7.225706576259693037e+00 7.321004455482931661e+00 1.164159939504834007e+01 1.129810069404287454e+01 1.025424513990685149e+01 8.397021877963526393e+00 1.080026829871010463e+01 9.960467205805892732e+00 6.320158299658746870e+00 8.050018769831602583e+00 1.069411668018177863e+01 9.613832453634019615e+00 1.090770527071144613e+01 1.232356346939533154e+01 9.905977458242729128e+00 7.317598914301297164e+00 1.056118869089886658e+01 1.169038607814177944e+01 9.000652022242084271e+00 9.898595649548727948e+00 1.340313782070377258e+01 1.317688427069056267e+01 1.440013773837890376e+01 1.315089287872623203e+01 1.627417250569007479e+01 1.580045219855678162e+01 1.222350968763807266e+01 1.378162902231228593e+01 1.646595622463239650e+01 1.431660187009033258e+01 1.218607155330091629e+01 1.566148099473950062e+01 1.693349213468878744e+01 1.552625793700683232e+01 1.711414777838266588e+01 1.452502704407031331e+01 1.616184102776130871e+01 1.955103149121360673e+01 1.929934184694982946e+01 1.771733518608013824e+01 1.839498086138612720e+01 1.899534342368881212e+01 1.589316849857124581e+01 1.384071017655340974e+01 1.610888330224199194e+01 1.529637245736030593e+01 1.149484227593452523e+01 1.217361704526521926e+01 1.506708413668560453e+01 1.083190002105917138e+01 1.453294798947682231e+01 1.627251293388554032e+01 1.448627717395137360e+01 1.689535432685300620e+01 1.757413084848784379e+01 2.003843946230922768e+01 1.889466080498161205e+01 2.231267915146006686e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
27 1.966464234718835868e+01 1.934996452744923090e+01 2.420288766127110236e+01 2.553059294395956158e+01 2.099450645887817046e+01 2.105056835077843402e+01 2.080852276338553253e+01 2.391195447253181428e+01 2.229510080630564062e+01 1.900282335986673132e+01 2.326085990518418356e+01 7.237667117371472614e+00 1.009665987228925310e+01 1.139627862264356928e+01 8.825115435673616560e+00 5.516464508449283599e+00 7.859884355696254765e+00 6.756756800386514605e+00 5.693765212675479859e+00 9.092959341607215862e+00 1.179485097004304706e+01 9.102911332219729701e+00 7.385335281086311987e+00 8.230884617911906176e+00 4.390307321559711262e+00 6.408458565602290768e+00 8.917390606616800497e+00 7.273292596402014532e+00 7.180422449090670511e+00 1.157108462522618453e+01 1.094484280757681027e+01 9.905571541637504751e+00 8.125414350725828072e+00 1.017133100990224825e+01 1.002821913837836121e+01 6.489629748578940038e+00 7.658469739837425294e+00 1.055619935588888936e+01 9.439247699155973947e+00 1.087161508760796380e+01 1.237627699764580669e+01 9.837641572689410197e+00 7.307049043835500690e+00 1.056704532161117882e+01 1.150893580646717318e+01 8.568268180822270708e+00 9.634615261695635979e+00 1.316941270016523013e+01 1.288619099685581126e+01 1.446948464291154934e+01 1.386711914904898535e+01 1.660115599959600630e+01 1.595606266621129166e+01 1.227356940722286538e+01 1.377441119947703463e+01 1.619928519453731397e+01 1.395306845506772753e+01 1.193343983079257065e+01 1.541736008377479727e+01 1.657325632865961040e+01 1.469196403511282334e+01 1.646753755502539462e+01 1.401255193356245599e+01 1.579828724514217164e+01 1.904519800726372836e+01 1.887501966724867231e+01 1.775373930223560137e+01 1.891260106156455123e+01 1.951192255019135402e+01 1.632224056927209688e+01 1.430475972166376053e+01 1.671809441596401413e+01 1.590344506146885095e+01 1.211583738327020043e+01 1.234154266257740851e+01 1.512138961568258644e+01 1.105081995765142189e+01 1.466317298636486832e+01 1.653412028737666972e+01 1.458418121002965329e+01 1.712103316922581087e+01 1.778949915715020680e+01 2.048859475219180126e+01 1.934829959766669205e+01 2.275566970467257732e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
28 2.023208951278230927e+01 2.009393403757264096e+01 2.501768897627912480e+01 2.571487007927022361e+01 2.107178056204362449e+01 2.090102854154588030e+01 2.128393396051549757e+01 2.439699815797426297e+01 2.319481472484757489e+01 1.989587663796608652e+01 2.422912951027736739e+01 7.539319929703449219e+00 1.027479773925424844e+01 1.146232884618978609e+01 8.889929981888366584e+00 5.635280373379940144e+00 8.295814342610883685e+00 6.227963568090288504e+00 5.822855306096148098e+00 9.139638919803243056e+00 1.187890815632206554e+01 9.198335061082154596e+00 7.409900099023452924e+00 8.167796184224297207e+00 4.682146959675547393e+00 7.395125211536234033e+00 9.331056856953061640e+00 7.560715967293349493e+00 7.662481530531623619e+00 1.210440874489769136e+01 1.136162021871266958e+01 1.023762560583899095e+01 8.492298866875072960e+00 1.065425142725006680e+01 9.984390098891859466e+00 6.382765079579981737e+00 7.777415138347755885e+00 1.033443224205405819e+01 8.657574496978337919e+00 1.017935853303267102e+01 1.148726417372700404e+01 9.023026578997813019e+00 6.398475204913180114e+00 9.701684568111671680e+00 1.102145263008742226e+01 8.141729511301823763e+00 8.977226273755295693e+00 1.258671892071809140e+01 1.217846169722536764e+01 1.349347868341074985e+01 1.288671318195170201e+01 1.593914892885553414e+01 1.531201104524258838e+01 1.169565121929595009e+01 1.335887876873603908e+01 1.579119404167254181e+01 1.355653391517118678e+01 1.151449461455510459e+01 1.510302819405655050e+01 1.652143727078482627e+01 1.470559637897180139e+01 1.646628173051845678e+01 1.422944428021321528e+01 1.561023448368592348e+01 1.904308149346116963e+01 1.865314868562515827e+01 1.760411387341680367e+01 1.841130216402827102e+01 1.944375873461540039e+01 1.620214882771444209e+01 1.389487273465291750e+01 1.603287196402725101e+01 1.549816381034481161e+01 1.167186729629535336e+01 1.204677825784615841e+01 1.476038627865711739e+01 1.042607435460493726e+01 1.416154986768810708e+01 1.594660470372681615e+01 1.432565669642789707e+01 1.704804273138834958e+01 1.769472945635875405e+01 2.019120867437888478e+01 1.884614147478247048e+01 2.240763899117811775e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
29 1.982411243607754869e+01 1.923436656241535303e+01 2.482096232626741283e+01 2.617099960599074038e+01 2.114409054496378459e+01 2.104632386262417754e+01 2.143472788567291332e+01 2.425753331946448554e+01 2.273722641631754016e+01 2.001626727216228474e+01 2.422505147147682436e+01 8.365885454513779962e+00 1.067328850532849849e+01 1.168456047382453100e+01 9.134755245809634161e+00 6.069173811748593828e+00 8.869320050909584197e+00 6.458143525069304225e+00 6.346688052176144623e+00 8.947405622800109981e+00 1.152045452030000483e+01 8.350184728573744053e+00 7.458999021065389812e+00 7.415205814727533706e+00 4.269019351791177641e+00 7.384145473434560181e+00 8.998490218064416624e+00 7.549738229465732253e+00 7.994521028306770027e+00 1.211579193250218722e+01 1.167151733145311532e+01 1.060846312840207872e+01 8.895585503505214930e+00 1.074451342917745400e+01 1.002112904508931912e+01 6.346427593564252234e+00 7.705507402303746645e+00 1.010009677652603521e+01 8.490057823256115910e+00 9.836433719233317774e+00 1.109299243225957454e+01 8.609106190251154089e+00 6.238350744675995152e+00 9.636687306940968867e+00 1.057106425353615009e+01 7.760871126311704948e+00 8.958174130486003861e+00 1.243736665600148150e+01 1.245760473971676596e+01 1.342042077767584729e+01 1.254489129889877397e+01 1.560778097051632152e+01 1.471165506649067289e+01 1.109430148257345117e+01 1.308404059884054504e+01 1.532522369218767366e+01 1.309409354874984999e+01 1.077228812368399069e+01 1.430367703392574263e+01 1.593944557874462120e+01 1.440728625492059400e+01 1.614338161190608290e+01 1.402022616456288695e+01 1.555738327539740418e+01 1.883203778934687378e+01 1.871401797453432181e+01 1.740584156143271599e+01 1.815492254713404563e+01 1.856246839656300196e+01 1.531509161825721854e+01 1.340631311997947783e+01 1.557155821186946376e+01 1.474802180100838989e+01 1.098954698073435843e+01 1.160059315608298824e+01 1.415190147602608306e+01 9.814548835363329005e+00 1.352096658004075636e+01 1.543760161208687798e+01 1.360076258810851257e+01 1.640362951566226002e+01 1.732945850538667543e+01 1.957127405056472824e+01 1.803154039760864080e+01 2.201803837330609070e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
30 1.982838410386768047e+01 1.927587557215867875e+01 2.451834467187012123e+01 2.524311355872803020e+01 2.015008092348166713e+01 2.093478134651540401e+01 2.144239160736999494e+01 2.379842373935162669e+01 2.242872682195321943e+01 1.921515834335153272e+01 2.373664639370546681e+01 6.998010183355442670e+00 1.007353847752635012e+01 1.123372260613613705e+01 8.985556792731266285e+00 5.685402322522576490e+00 8.074112743421341776e+00 6.466980384800646853e+00 6.099214723352440082e+00 9.110058398515315403e+00 1.182972994340559225e+01 9.007100073125766215e+00 7.283758365645374155e+00 7.946377189258632789e+00 4.124140451014231878e+00 6.257637665561046170e+00 8.645324636644579286e+00 7.143761800174021737e+00 7.102855950003217345e+00 1.189365053117049698e+01 1.127051245758920928e+01 1.007659612324575349e+01 8.437632749968679846e+00 1.077270181622300527e+01 1.051303986430272097e+01 7.192798241778985968e+00 8.011150901730793805e+00 1.091014439323832974e+01 9.569566734137252340e+00 1.064958995667316799e+01 1.242183153401827056e+01 1.000025109193279249e+01 7.280556988893128967e+00 1.057451860739909399e+01 1.167366745157102237e+01 8.696781316211806612e+00 9.736041318846815784e+00 1.323270960604573965e+01 1.314645543305733710e+01 1.454780721738305083e+01 1.361127931749872211e+01 1.681000024951021743e+01 1.614683476099648018e+01 1.252733708900217557e+01 1.402381250921351352e+01 1.644482446488141747e+01 1.423742177551646471e+01 1.193631218548441808e+01 1.552565608357399185e+01 1.701757526897204897e+01 1.552324621064858157e+01 1.671277092987273960e+01 1.426877049108919238e+01 1.606830284094199257e+01 1.941373515083757795e+01 1.934114579768321107e+01 1.801960823628187569e+01 1.878134363279444585e+01 1.884399567583442092e+01 1.570266047336968285e+01 1.394056993934010968e+01 1.606128980910894555e+01 1.532037847265615760e+01 1.142965884863545334e+01 1.213073532514331099e+01 1.483817217032388491e+01 1.069530252454159580e+01 1.424475438651711556e+01 1.614308003669540881e+01 1.419619844529908725e+01 1.671956532130055351e+01 1.744332258502752353e+01 1.976853584376665651e+01 1.853501166323543359e+01 2.265071273335833979e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
31 1.969757176885235594e+01 1.918067843971091690e+01 2.427323893921001030e+01 2.502534524380708092e+01 1.996031426664399788e+01 2.039990207687729651e+01 2.118309149089116517e+01 2.374796554791626590e+01 2.215709183184911524e+01 1.876596252414861965e+01 2.356839060704392352e+01 7.659817098299974703e+00 1.033471853161998411e+01 1.149400269916134754e+01 9.049472022975791674e+00 5.782740797824181378e+00 8.322968830875861812e+00 6.471132026952767902e+00 6.023629386760381621e+00 9.338851990130413228e+00 1.197006099640428189e+01 8.831361945798532176e+00 7.487060959359266299e+00 7.663185312856313658e+00 3.990459885786033833e+00 6.731058332385433829e+00 8.711508753992395881e+00 7.100528359300612102e+00 7.109898848544260908e+00 1.161125676381029770e+01 1.096785365999346418e+01 9.968987939059426040e+00 8.389280704203359917e+00 1.072946705043224824e+01 9.845747053175841756e+00 6.294469563675072266e+00 7.591751783835394285e+00 1.045099333328227686e+01 8.805498575015253238e+00 1.042901493935896795e+01 1.189454739955006346e+01 9.389686192461342173e+00 6.643781868403660695e+00 9.821884232503059309e+00 1.114135631051248154e+01 8.518376963746657538e+00 9.484153630817576897e+00 1.304011692504410824e+01 1.279628265843446933e+01 1.411874421118516665e+01 1.355774937853143314e+01 1.635196622522892795e+01 1.559284394006632901e+01 1.186307542914978619e+01 1.368997518539270786e+01 1.593580373661747807e+01 1.349729837699989510e+01 1.124870757867480187e+01 1.485244511170420267e+01 1.600692193368663752e+01 1.449569839309774544e+01 1.591909055560055997e+01 1.349669263149348275e+01 1.505509374660275590e+01 1.839290156432096879e+01 1.835851514727738376e+01 1.727410223765159003e+01 1.777977970164663546e+01 1.872253490048417390e+01 1.550940678420019658e+01 1.363395011196320361e+01 1.594367369768775333e+01 1.484857730842266577e+01 1.093358961580024769e+01 1.209296009012794038e+01 1.481475624793501389e+01 1.083515222572181180e+01 1.454131843837562421e+01 1.602671208060608876e+01 1.397812831075021833e+01 1.649125358749159176e+01 1.731757724136359045e+01 1.944096589724995994e+01 1.775655007065313740e+01 2.185823751616001331e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
32 1.925194548083024770e+01 1.936236100733319176e+01 2.500854287835678491e+01 2.551904773588742970e+01 2.072785228730027285e+01 2.093565102445018766e+01 2.137968194461511828e+01 2.408728260097795371e+01 2.238569344935980254e+01 1.917795569168769632e+01 2.331953059378908932e+01 7.569153201816461340e+00 1.058788870370059598e+01 1.144538728960053575e+01 8.928245216330376266e+00 5.876764083693056584e+00 8.600386442861573499e+00 6.610296878737249138e+00 5.971260283123737800e+00 9.064907009927265946e+00 1.172484907956290101e+01 9.039309077290118566e+00 7.300517905411105346e+00 8.022579561692916528e+00 4.332601665487653797e+00 6.763092708128071173e+00 9.076301857123004524e+00 7.373955341762314930e+00 7.538888147777599968e+00 1.211604107856802237e+01 1.136156513952434288e+01 1.011734306440636111e+01 8.348175742648185960e+00 1.034685698659455433e+01 9.859592480469096643e+00 6.189828094824860294e+00 7.429519063480350738e+00 1.012918555542830923e+01 8.619601274666937485e+00 1.025934918223932435e+01 1.144403009731651721e+01 9.045952895850634334e+00 6.604560810420557537e+00 9.992005621863697229e+00 1.098422044064894543e+01 8.194277155248730793e+00 9.514493714315765516e+00 1.280149256865394491e+01 1.263298375293462428e+01 1.406955968343616625e+01 1.344926455188542036e+01 1.625883794194207255e+01 1.518675076494627341e+01 1.152364950277330635e+01 1.360104020667852609e+01 1.587122102711033023e+01 1.331929776873341886e+01 1.119415576090847431e+01 1.478705057024783365e+01 1.591650070727580335e+01 1.473728366742045282e+01 1.631555792615747436e+01 1.383827366850335316e+01 1.509827367328184167e+01 1.860083286632970356e+01 1.865546702721671579e+01 1.722993960843212236e+01 1.800234892974045664e+01 1.864633558966618310e+01 1.537047086597973333e+01 1.342879494362794901e+01 1.565640712836160731e+01 1.482465680064475499e+01 1.089683013749901974e+01 1.201415157356280439e+01 1.464700430461122416e+01 1.062955347244789905e+01 1.425385783197328671e+01 1.606842423053685920e+01 1.415903159238865427e+01 1.661796033028556963e+01 1.748818113742118285e+01 2.005341266782957987e+01 1.882211912586815927e+01 2.247559774929135656e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
33 2.035398974806968297e+01 2.017538926503827668e+01 2.569075150281051378e+01 2.655772064177504177e+01 2.125098923334300949e+01 2.134562642055964687e+01 2.162693724510243953e+01 2.433051080845464753e+01 2.286799424757568744e+01 2.007241219784999586e+01 2.411242153269093436e+01 7.720513291065911332e+00 1.026750228664699982e+01 1.119053340281129216e+01 8.751220061376091763e+00 5.574022503236444770e+00 8.135030328618309881e+00 5.892742077339734763e+00 5.604667314397433486e+00 8.735711010306445701e+00 1.177724293865684047e+01 9.318620925383871878e+00 7.744980490047119304e+00 8.289802639858399047e+00 4.861923106269346206e+00 7.716926773438874676e+00 1.004242576259196795e+01 8.351413269939898854e+00 8.235734426946221376e+00 1.283240758834966577e+01 1.180889125533130724e+01 1.051996461223783008e+01 8.333215014317900682e+00 1.075348928589623831e+01 9.995634547689393301e+00 6.311679279713877655e+00 7.600287569037810442e+00 1.017328367025379521e+01 8.524542007041842950e+00 1.012135781434104231e+01 1.117751820066931501e+01 8.613830791749130356e+00 6.032157676664331447e+00 9.322843073854722107e+00 1.063215225927999441e+01 7.971453292153447556e+00 8.799545455879014710e+00 1.229535483605193491e+01 1.260343248482551104e+01 1.367795586753548598e+01 1.307098362869163033e+01 1.595808807196808843e+01 1.504021577674114241e+01 1.143484569842644305e+01 1.336729005480896149e+01 1.554077788515734859e+01 1.309739656726049617e+01 1.131602837298061282e+01 1.509804865076284308e+01 1.602495316404039372e+01 1.480266817339539642e+01 1.642979155586966655e+01 1.413138592351196898e+01 1.543691727139613157e+01 1.890826190135300777e+01 1.914232981535217704e+01 1.812069414729671735e+01 1.864952056847852191e+01 1.951310422404665701e+01 1.646798153326019687e+01 1.415519623502817304e+01 1.606273321535434206e+01 1.580312465430456648e+01 1.187361195603506125e+01 1.199232266584460405e+01 1.466891328942124595e+01 1.036356624506398028e+01 1.377372909008130719e+01 1.570223142151331608e+01 1.394754390696872726e+01 1.687774527705278516e+01 1.801480460230952119e+01 2.032995412956614700e+01 1.907246925576327712e+01 2.293016503750962798e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
34 1.975758383196168921e+01 2.006669369511380197e+01 2.535148885754772863e+01 2.629408474892105829e+01 2.110265684615881199e+01 2.061653321192009258e+01 2.126378956025590483e+01 2.412608585580908738e+01 2.240754868970146418e+01 1.936604152279785751e+01 2.357569742038537086e+01 8.179802759140743618e+00 1.082450856336037148e+01 1.104791214552611933e+01 8.836315665913430095e+00 5.891992505896220145e+00 8.252536722265029212e+00 6.337216278073158904e+00 5.759686621630885739e+00 8.712473090158527000e+00 1.133528098270230089e+01 8.363770925417105317e+00 7.664267306433004023e+00 7.955740571384889215e+00 4.758719280778572092e+00 7.742547177966088157e+00 9.926199203690609707e+00 8.108521958984919564e+00 8.168520950438960426e+00 1.260104579676090530e+01 1.159253856953238149e+01 1.089581631301572173e+01 9.091999833503720652e+00 1.108734162262053147e+01 1.009577283142586346e+01 6.311492607309822311e+00 7.820739511471193062e+00 9.897735373515294199e+00 7.854299216434562858e+00 9.462170683496339052e+00 1.066160233070877794e+01 8.123800186498520759e+00 5.718451144217744364e+00 9.335865819456657277e+00 1.030954861492856978e+01 7.911400020743942108e+00 9.178115506736707729e+00 1.255850424580260771e+01 1.258290952311912747e+01 1.359660981336874919e+01 1.339836871445608324e+01 1.534561168464908576e+01 1.452025132018148135e+01 1.078940771119952124e+01 1.250418642689649040e+01 1.485708007434276112e+01 1.271769967015469938e+01 1.056630774269291351e+01 1.419533204889548728e+01 1.534579878768371408e+01 1.414101052375550083e+01 1.617485231373860444e+01 1.409165869847890384e+01 1.505083379771825314e+01 1.860755988546304707e+01 1.870268387200753324e+01 1.739281413483746874e+01 1.812697958062696912e+01 1.887405170788877129e+01 1.591876046551183777e+01 1.354779499267873533e+01 1.591266294742921339e+01 1.523931912636998831e+01 1.139537558250164118e+01 1.183043512035239964e+01 1.451714249126548495e+01 1.029425227732814285e+01 1.391488525936768639e+01 1.581162325610550923e+01 1.359968328400240800e+01 1.637985034018302599e+01 1.717251547872595552e+01 1.980108797786871477e+01 1.868336364249539727e+01 2.234544294295630351e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
35 1.936148882888641154e+01 1.993976193620840220e+01 2.522051018531238142e+01 2.605745197263647484e+01 2.103390259995199685e+01 2.122121124973292439e+01 2.171413164103888604e+01 2.432536680739269030e+01 2.301934533686450379e+01 1.972089324463265925e+01 2.399764813043168132e+01 7.939391409801412003e+00 1.065340332360777786e+01 1.152548974055056874e+01 8.989824337608723681e+00 5.879298613244848148e+00 8.462909618186857941e+00 6.423594781939827136e+00 5.800981955148773572e+00 8.799156833608059003e+00 1.151397501887849373e+01 8.578862253537732130e+00 7.273593088040476218e+00 7.613443893882116953e+00 4.393637426655530476e+00 7.456368139468552592e+00 9.384109934721529100e+00 7.497570512177382795e+00 8.103312451173811937e+00 1.228281469593717112e+01 1.147737193082403628e+01 1.076870320583796747e+01 8.894398102329812872e+00 1.137493148672096765e+01 1.037794200150690571e+01 6.712276550830638122e+00 7.972096630870965761e+00 1.020785834674766512e+01 8.276822999565274230e+00 9.692503340779502707e+00 1.093159867711660027e+01 8.497116544619371936e+00 5.898443078922109173e+00 9.407313432789003116e+00 1.033564605353057075e+01 7.874701861074994369e+00 8.948564432482763564e+00 1.243915926559555452e+01 1.265170220817820201e+01 1.345887708654059978e+01 1.314464665581576597e+01 1.539282024269728488e+01 1.444361432900090669e+01 1.079540727166831893e+01 1.284186724955699788e+01 1.505539661800776585e+01 1.293809185566223618e+01 1.078751501457521123e+01 1.443733953680780147e+01 1.557479472372348184e+01 1.430700746565270265e+01 1.603396026466855062e+01 1.394838626365485368e+01 1.531064319734376156e+01 1.863479852335796494e+01 1.860957159326947163e+01 1.742897887937508727e+01 1.818955192970831192e+01 1.890220398620668618e+01 1.586166102150708568e+01 1.349280364213809946e+01 1.551246315503997586e+01 1.494570612906075269e+01 1.112518365188252467e+01 1.127574234987478619e+01 1.386404090368412589e+01 9.982531806693335952e+00 1.351988097596191984e+01 1.588599835446717812e+01 1.389468453909012702e+01 1.635825183167079189e+01 1.705261662264388534e+01 1.921752130884771859e+01 1.852739710759001568e+01 2.184242906440955068e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
36 1.922863172559465994e+01 1.927995925936637178e+01 2.487287696477842047e+01 2.586875873370357937e+01 2.055810571967545997e+01 2.053817034521451745e+01 2.140726871844170276e+01 2.398091029981197408e+01 2.291619209631948806e+01 2.013220030961950613e+01 2.385474174048954055e+01 8.235501798401621443e+00 1.072404457320626570e+01 1.187601883168402495e+01 9.526491817403217155e+00 6.615203245774368135e+00 9.050706925562478133e+00 7.180186840520545566e+00 5.890689275745451425e+00 8.849659033893789939e+00 1.167446986709328982e+01 8.700212857474793893e+00 7.507252071985921482e+00 7.587190605412897249e+00 4.376523348130787916e+00 7.558322906918906625e+00 9.133330769819933082e+00 7.300959113549067681e+00 7.979956477915533419e+00 1.213332249584037825e+01 1.142549204575287369e+01 1.074370277092329573e+01 8.767709177765624418e+00 1.106075183035303766e+01 1.001594833410437779e+01 6.262912625728615623e+00 7.642683129030586997e+00 9.907759200787856102e+00 8.197855579591951880e+00 9.824469799900832356e+00 1.143573893194699842e+01 8.884628664615329185e+00 6.545788236499762824e+00 1.001448217365154569e+01 1.075696665662892038e+01 8.293128384800837694e+00 9.700039600828997521e+00 1.298668504354052899e+01 1.276298313534836204e+01 1.391551143980670524e+01 1.373534400308269454e+01 1.576762215816194157e+01 1.548386705805963359e+01 1.172257865371208396e+01 1.301971955506659739e+01 1.537875718850072815e+01 1.313614740034887340e+01 1.080817705492527026e+01 1.416879126519794951e+01 1.545730054236096329e+01 1.425656478375135450e+01 1.562398572101864147e+01 1.339001995713898729e+01 1.450228778787557893e+01 1.815643624204992790e+01 1.808752898643163931e+01 1.682086036195546441e+01 1.743548608843888914e+01 1.804607697509294795e+01 1.470109420984025839e+01 1.289097899521875057e+01 1.460159895884542536e+01 1.393377672016322144e+01 1.011819677858219180e+01 1.081239840433027055e+01 1.363063016243183334e+01 9.528571091705492435e+00 1.302881839571652023e+01 1.547638196987528048e+01 1.385280613403384287e+01 1.670121187774372018e+01 1.714627465490942626e+01 1.921883956047062725e+01 1.731606126617899477e+01 2.153053511921865493e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
37 1.941959555950674243e+01 1.948914513584262664e+01 2.520738480205212895e+01 2.593905691553904447e+01 2.041700434975124878e+01 2.036321533390823646e+01 2.105874739272272578e+01 2.393029227997779884e+01 2.270821972872186123e+01 2.016897122974011225e+01 2.398826338690212623e+01 7.737718415015541140e+00 1.082416288412165351e+01 1.198248067455863186e+01 9.315306402975641831e+00 6.351106965979877117e+00 8.935924707996397487e+00 7.155350755023549780e+00 6.175298367182840309e+00 9.143145609069225799e+00 1.147884927656491882e+01 8.187942047388201416e+00 7.250584490393955583e+00 7.847583400445582669e+00 4.465063595940428343e+00 7.445717093481902360e+00 9.147545080494534631e+00 7.279151980814922318e+00 7.721483828919585513e+00 1.178858354790595264e+01 1.102996133801231160e+01 1.018687772661233026e+01 8.382563701701021941e+00 1.055663361106469011e+01 9.703873915956382490e+00 6.057020834157558653e+00 7.791009024125766125e+00 1.016072146534552267e+01 8.371678440122471088e+00 9.867039359688012823e+00 1.119268238794874648e+01 8.550914890317013572e+00 6.197361196475609013e+00 9.659163095456493764e+00 1.070568361078473352e+01 8.338632702884904546e+00 9.987005328615051525e+00 1.329888532838380755e+01 1.276540307985782619e+01 1.356658196794800375e+01 1.281644239087402148e+01 1.541900001428269817e+01 1.493659281036134523e+01 1.115457399036382391e+01 1.268821215885907883e+01 1.526816470080567001e+01 1.287501742127622428e+01 1.076657926766516482e+01 1.444178206996019753e+01 1.552221196427350236e+01 1.350572486798925809e+01 1.528749142809057560e+01 1.316357610827240521e+01 1.452571729382785826e+01 1.778635165530636897e+01 1.790824796655297035e+01 1.715254440929552970e+01 1.790347760881495986e+01 1.860504171537940366e+01 1.552791674333123240e+01 1.327630866478948768e+01 1.539247803162177419e+01 1.479572764297722465e+01 1.103720785765621137e+01 1.126502971405104425e+01 1.412060321126086926e+01 1.006760668366484524e+01 1.363870743707909838e+01 1.561054436197944639e+01 1.383128875393897239e+01 1.676099113135820318e+01 1.697757160600400894e+01 1.925372520293232270e+01 1.753206689624089520e+01 2.203331123326925223e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
38 1.968450080423804849e+01 1.965501428478394175e+01 2.509557461834209846e+01 2.605235991041838517e+01 2.069090580951713676e+01 2.040687700262511584e+01 2.082947467663272789e+01 2.375324230549967552e+01 2.284982495392213764e+01 1.974684007087077831e+01 2.398551085516860581e+01 7.276346200418372767e+00 1.023243479194531957e+01 1.168763389433691735e+01 9.341791094648559834e+00 6.133261523870172205e+00 8.428336791635071990e+00 7.240270984062027182e+00 5.860139434372810818e+00 9.264182621249663185e+00 1.192543696133469844e+01 8.945412278767571834e+00 7.770224070657472559e+00 7.772004345610842080e+00 4.165545715559591855e+00 7.074827823546581129e+00 9.016931318638727433e+00 6.958619016662426660e+00 7.228887592469246393e+00 1.179508263510543209e+01 1.075420539942207654e+01 9.768393357713236469e+00 7.925292124915356062e+00 1.049324122445847429e+01 9.665267097210756830e+00 6.067386535218088461e+00 7.587357468328041143e+00 1.012313565176897434e+01 8.732853261585141524e+00 9.959840978654112220e+00 1.176922069360107415e+01 9.566883318775783351e+00 6.941999502317083959e+00 1.044926971448481545e+01 1.142942170585360984e+01 8.927512130276063829e+00 1.036248260012758493e+01 1.404814568231087257e+01 1.380153549410564473e+01 1.474529235806716088e+01 1.384829559207508787e+01 1.629018191500174595e+01 1.555899236830496335e+01 1.176664194460366630e+01 1.337455943506971323e+01 1.578414119882464739e+01 1.346647941990166331e+01 1.115761468183979943e+01 1.471274664156692324e+01 1.560013935858017575e+01 1.443235589345529668e+01 1.598027290112557885e+01 1.361346706165291742e+01 1.481852428151800183e+01 1.834616848211259565e+01 1.864749536224484672e+01 1.723570640469901250e+01 1.809028607677841194e+01 1.863166780378712417e+01 1.560479000222606416e+01 1.342102577680568132e+01 1.580578345094114390e+01 1.517380475750246305e+01 1.134320362433180129e+01 1.155761093260983152e+01 1.459678601965869049e+01 1.032143362057670899e+01 1.391651351645587553e+01 1.584249410906530464e+01 1.438931787854546585e+01 1.690284110733803402e+01 1.724649173915023681e+01 1.966875141651036785e+01 1.819452411367005240e+01 2.243248193530020984e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
39 1.986747075452744937e+01 1.920890066460612289e+01 2.480166893861751021e+01 2.596051007137894473e+01 2.072531303180204176e+01 2.008300686822973091e+01 2.086342888694778352e+01 2.391185141392998048e+01 2.306167834416976703e+01 1.985592156740715097e+01 2.434624725881658591e+01 8.273833144309314491e+00 1.123008852580623440e+01 1.257746186304569491e+01 1.004933078989452611e+01 6.744633308863953403e+00 9.403836875008861895e+00 7.058585254904326867e+00 6.202064369597461102e+00 8.867484760193095283e+00 1.166307772372826790e+01 8.561717437886947835e+00 7.388582289276741655e+00 7.625200420521346167e+00 4.293162595463380526e+00 7.303048325384892792e+00 9.130062836032704965e+00 7.184000284504410416e+00 7.757974849516758198e+00 1.183581347738102707e+01 1.108383186324354064e+01 1.042913938811044616e+01 8.792735593829760887e+00 1.066151899775289813e+01 9.852407339321656465e+00 6.043469085881286951e+00 7.542808878748794577e+00 9.712077102398694706e+00 8.200053480527872196e+00 9.946709594369844254e+00 1.122032006209763111e+01 8.470497065880765675e+00 6.455100899140518322e+00 9.999948702193190542e+00 1.074729927178647593e+01 8.261290147699114073e+00 9.553409592449396470e+00 1.293763571873922302e+01 1.261060272217030764e+01 1.368269692988308783e+01 1.326731344735296680e+01 1.569149265289982509e+01 1.489101414395924472e+01 1.105432537761640965e+01 1.262926888223803346e+01 1.518898967739504435e+01 1.274783703093050669e+01 1.047877147305680090e+01 1.392936646238469578e+01 1.549622745628655096e+01 1.417556017814149705e+01 1.563914610198151323e+01 1.328869885096212755e+01 1.485605678022409926e+01 1.824764920589249684e+01 1.817386579407565961e+01 1.667350542040948014e+01 1.777118566507575537e+01 1.846313663570969865e+01 1.530061593924537533e+01 1.297393184658694310e+01 1.507399245204424965e+01 1.447058583193603809e+01 1.067871839699637349e+01 1.097789500904574211e+01 1.354197248168644485e+01 9.342085795836963413e+00 1.281842684550196410e+01 1.479794457808698738e+01 1.347424468785987450e+01 1.613642084891779760e+01 1.727728851173248970e+01 1.916457980095081837e+01 1.767265210873371117e+01 2.226415283967644498e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
40 1.991309471860525093e+01 1.916023397708768528e+01 2.509012732377428279e+01 2.628416020465275693e+01 2.103836278377920266e+01 2.055537224191328249e+01 2.152181486462554361e+01 2.446468711981284372e+01 2.307558184788814870e+01 1.975722812176832832e+01 2.446739622182332141e+01 8.827929579279206962e+00 1.140489006974727459e+01 1.251465331169736572e+01 9.959241640217076252e+00 6.831438317994410703e+00 9.085085298255533459e+00 6.621257580451404223e+00 5.999312002319150849e+00 8.962865337957005352e+00 1.137635032264674528e+01 8.115403822825495439e+00 7.105196522783914226e+00 7.187060923109756416e+00 4.151903637412581283e+00 7.609572238014985501e+00 9.298783017489615332e+00 7.704170803110133470e+00 8.400426668679447317e+00 1.215018841518276460e+01 1.171018048549628432e+01 1.107967960260177165e+01 9.201242134783008453e+00 1.102242546819075564e+01 1.006892176633719060e+01 6.442269817927097186e+00 8.058029108142962471e+00 1.027289387618120564e+01 7.928744757349436512e+00 9.712857965756528600e+00 1.070889670509148672e+01 8.024410662103983682e+00 5.790189067379903243e+00 9.307832157168251186e+00 1.040490993512358031e+01 7.777806511440557458e+00 8.873988544616862484e+00 1.234426705806888336e+01 1.233312895774965234e+01 1.345962656341706065e+01 1.266118822206276739e+01 1.513811918896885977e+01 1.448324928041066073e+01 1.076039219828882132e+01 1.241498560501416293e+01 1.484382413422704872e+01 1.244033472594884593e+01 1.043292159159995336e+01 1.417846348482590813e+01 1.519367161266947974e+01 1.408373192807365015e+01 1.584776393507652159e+01 1.356862413898908670e+01 1.475497073759049194e+01 1.839128558515790601e+01 1.851579589013356397e+01 1.729238867612185615e+01 1.764340948646153251e+01 1.858309847753869803e+01 1.555746999642741102e+01 1.338522171602266830e+01 1.520383018300171152e+01 1.458445492530017340e+01 1.083948086559095891e+01 1.126951322173565195e+01 1.380458013023579333e+01 9.061689674082815671e+00 1.234970935172462170e+01 1.442686805733791822e+01 1.290319215028057975e+01 1.571613665198456644e+01 1.641985736983800237e+01 1.900510117680735789e+01 1.785550170231801559e+01 2.199803524410685895e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
41 1.947970260319153368e+01 2.033506186991644427e+01 2.534361793373044236e+01 2.618804976787317429e+01 2.109925818669507436e+01 2.152571645937553768e+01 2.173736287117107935e+01 2.473853716168639139e+01 2.322421705243775136e+01 1.937558922019058372e+01 2.409247605577379403e+01 6.817214556388222491e+00 9.857100207990516338e+00 1.102249849228670797e+01 8.775647161787359707e+00 5.335047080632873140e+00 7.659252244935417231e+00 6.564574225046136746e+00 5.715604778888897286e+00 9.256620418024574803e+00 1.178758344982968076e+01 9.123830954198416165e+00 7.500634311058755443e+00 8.396647059524818602e+00 4.757327022452817467e+00 7.334544227595857002e+00 9.639768664151159072e+00 7.980325428195906845e+00 7.558672430729740377e+00 1.223322881090948222e+01 1.101391346183262954e+01 9.932752955402976980e+00 8.073357020836377629e+00 1.054806049788321687e+01 9.538029068680657474e+00 5.890298712941689274e+00 7.295755493051212959e+00 9.894956080659703446e+00 8.406636056706034310e+00 1.001461218911906137e+01 1.185729088017505539e+01 9.541800286187804403e+00 6.767969342324023252e+00 1.030168988893287541e+01 1.148244317845819396e+01 9.048820962142977820e+00 1.016719936855600004e+01 1.363918330558903236e+01 1.355614532983405951e+01 1.485155439645289910e+01 1.399049825954654658e+01 1.645938417524673625e+01 1.578625707598786221e+01 1.198010864033115652e+01 1.377106755346883737e+01 1.609627575929805232e+01 1.370917517713796130e+01 1.123893508229425642e+01 1.473381857409845530e+01 1.584878741090049026e+01 1.443339698283544514e+01 1.609979159798548665e+01 1.397345225707042005e+01 1.575764138165061645e+01 1.902668741683126541e+01 1.905388859524608236e+01 1.792087538999827956e+01 1.866155695218940380e+01 1.963703162566551441e+01 1.657781530301948081e+01 1.436122530703464051e+01 1.648921357828861645e+01 1.598854032170634909e+01 1.206597475309941636e+01 1.255364758353321264e+01 1.536900396129606072e+01 1.087412711411593769e+01 1.424795344633883509e+01 1.643497029711546276e+01 1.448387514271126264e+01 1.729930661512159418e+01 1.774161202521030134e+01 2.030011474630001800e+01 1.913328725923155815e+01 2.291598091637232670e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
42 1.979431912103110491e+01 1.953350136473727972e+01 2.546945877178819373e+01 2.648105378898031148e+01 2.102445626083422070e+01 2.119890275890597664e+01 2.173927212519549457e+01 2.462140231053151851e+01 2.347345188295148688e+01 1.972964996474880195e+01 2.445317278749500645e+01 7.707483228534578679e+00 1.062677099617043908e+01 1.164582684141473656e+01 8.929641288457876414e+00 5.856097543037605213e+00 8.489725847664610470e+00 6.561216104109155012e+00 6.154245800235517372e+00 8.954492435385974503e+00 1.192049946702209873e+01 8.544658012256030943e+00 7.634641984647502433e+00 7.943101912028637912e+00 4.362690896721883149e+00 7.270787250659626721e+00 9.358618161059666818e+00 7.466122099176946136e+00 7.887003693010497862e+00 1.231272398613634245e+01 1.149553247724146843e+01 1.043487549602394360e+01 8.893582115568975155e+00 1.117578887816861055e+01 1.019679413900688125e+01 6.507218822362387911e+00 8.133110079517017255e+00 1.015381339479354494e+01 8.113916644769473052e+00 9.451719831190915855e+00 1.106103291184549775e+01 8.577184344034506580e+00 6.079745773940071096e+00 9.577440556528243221e+00 1.065104011137388795e+01 8.418610549665615395e+00 9.723137472270561688e+00 1.296859088605239663e+01 1.303356802996944452e+01 1.407542024876903852e+01 1.273552540416986467e+01 1.552531251204260343e+01 1.492515748664260222e+01 1.116590097901840117e+01 1.292949731165231242e+01 1.510851278370430606e+01 1.278371038860167097e+01 1.065249009571693506e+01 1.418247097398925405e+01 1.560086232593209310e+01 1.437126567991221648e+01 1.598581702995500287e+01 1.359813365548916586e+01 1.497645000109293356e+01 1.837583489368490319e+01 1.909262990084054223e+01 1.717307620319564876e+01 1.727962741486551579e+01 1.875702517019576732e+01 1.553482224971114434e+01 1.323253606399058491e+01 1.519700583798071847e+01 1.488940753516693860e+01 1.108007369592330171e+01 1.126433597342381709e+01 1.408118336225973799e+01 9.815930178348466484e+00 1.332569285800811620e+01 1.494228325255302892e+01 1.342104939445255241e+01 1.618183562653117846e+01 1.692075492249697177e+01 1.915544354123900561e+01 1.804330977952352910e+01 2.203223697501110934e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
43 1.940707233118118680e+01 1.925898371513119045e+01 2.464292248112245431e+01 2.569015512661399114e+01 1.995432477825236006e+01 1.980990661771117090e+01 2.043112613076979756e+01 2.350087506963323847e+01 2.297061450600738297e+01 1.919720475228316303e+01 2.377908551090527922e+01 8.493457102176540374e+00 1.102154426800636777e+01 1.203333681011106293e+01 9.609762741559224608e+00 6.469082337148470252e+00 9.131237042212683619e+00 7.122130076535457377e+00 6.505739371005289762e+00 8.931258260842316332e+00 1.148595329424832556e+01 8.271339058380013043e+00 7.219784632718480033e+00 7.275230198683198424e+00 3.998281600913418110e+00 7.101606713149588579e+00 8.635925573337340566e+00 6.878103729840139735e+00 7.418742258508097542e+00 1.154146294825020824e+01 1.073321662394768872e+01 1.005794653014857154e+01 8.692436702536634030e+00 1.083946599788776588e+01 9.982758465650533708e+00 6.252503749719949155e+00 7.796378451998175585e+00 9.993975345236625785e+00 8.293068693125686508e+00 1.006541900978008819e+01 1.111957445240672371e+01 8.479991390626585357e+00 6.279339989363105445e+00 9.867347405544176553e+00 1.106880773393928408e+01 8.626257079551464813e+00 9.944496081157806699e+00 1.336778216552549559e+01 1.337459972747171655e+01 1.433997949390415449e+01 1.312519423231021065e+01 1.581731120862395024e+01 1.508173775698849362e+01 1.131984830455947488e+01 1.262922446978164182e+01 1.500215288018883975e+01 1.252377465661955647e+01 1.072463661592038164e+01 1.461880395965892809e+01 1.560125508003565820e+01 1.396221899213345274e+01 1.570916101578477964e+01 1.326939067169914210e+01 1.457520867873562231e+01 1.818666512124828216e+01 1.832524202595926610e+01 1.666097411864192068e+01 1.703444475340844733e+01 1.824984686249886678e+01 1.513968129179118982e+01 1.289760985297484552e+01 1.512161869953157911e+01 1.438220248883592411e+01 1.059682099999050209e+01 1.121655770642787431e+01 1.392535388740244962e+01 9.671327200737318108e+00 1.332142525057660265e+01 1.523480369158517966e+01 1.313860820680360320e+01 1.608001002624598286e+01 1.669371128026658013e+01 1.931993378664752825e+01 1.815429910369937261e+01 2.170725520347014736e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
44 1.986189719193316350e+01 1.991032752455023669e+01 2.564056461281935029e+01 2.674379559343700663e+01 2.089581577446293181e+01 2.114638719638475095e+01 2.111199488812071579e+01 2.445199485926103122e+01 2.327835103158516716e+01 2.018722765568086785e+01 2.408320158353749818e+01 8.411793618477267032e+00 1.101003616880298352e+01 1.203145677999577856e+01 9.140361555824870976e+00 6.298811173447693257e+00 8.877687025407897892e+00 6.442940297376281045e+00 6.044641270666774702e+00 8.764783735550921051e+00 1.123507169411247375e+01 8.108203970378788483e+00 7.404280629715412232e+00 7.760452588261344431e+00 4.526119418420700313e+00 7.901422082619212084e+00 9.748896674684523589e+00 7.902491788295820996e+00 8.227539227082440121e+00 1.235210494570353745e+01 1.141461660216211449e+01 1.067289741200990960e+01 8.988285621329410446e+00 1.062905141486371541e+01 1.009199693120411467e+01 6.310268482315071203e+00 7.524813500563102053e+00 1.008308323659079875e+01 8.282594347338926966e+00 9.479328332746714381e+00 1.082647271139668099e+01 7.895232902396050356e+00 5.840555980448700168e+00 9.392400090140993640e+00 1.024715252761104978e+01 7.567385833202884271e+00 8.736234751779731411e+00 1.211377048054039207e+01 1.205039213279602350e+01 1.324369848330048427e+01 1.210014185150303945e+01 1.498916886747494814e+01 1.450369024196460366e+01 1.065240715206664568e+01 1.220659517920119086e+01 1.453939119768088695e+01 1.229819358451347178e+01 1.034064879679789506e+01 1.391440017495787274e+01 1.529200038965981889e+01 1.419232883440881920e+01 1.638138738884663326e+01 1.411669790447703043e+01 1.504992059786090941e+01 1.857280863290970530e+01 1.884367415039629279e+01 1.729394788955725204e+01 1.785562432907416763e+01 1.836904008104886543e+01 1.536014751856080807e+01 1.329692154340237131e+01 1.548219384893137196e+01 1.477103235723264518e+01 1.097741738864235828e+01 1.158488670555080624e+01 1.410842487782523058e+01 9.672261408636723345e+00 1.327541255045075097e+01 1.502494605062235067e+01 1.324580651620152416e+01 1.573517850459714928e+01 1.672729408892758229e+01 1.890961974408067903e+01 1.778930251306207566e+01 2.151023966902455697e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
45 1.967449931890790182e+01 1.993328240206709978e+01 2.489561129847479393e+01 2.574279784806143212e+01 2.023869613963562486e+01 2.042258053382099448e+01 2.087878890405665189e+01 2.393039670319692647e+01 2.254137647282876245e+01 1.948109536279416076e+01 2.371157602118540808e+01 7.820521747033226667e+00 1.064220694778519238e+01 1.192813214099927777e+01 9.376901522978696946e+00 6.157772945499667472e+00 8.638612130717872262e+00 6.956799908422656387e+00 6.058402115184406078e+00 8.957962613926728324e+00 1.165386439011078501e+01 8.664510004064720050e+00 7.364184399291033856e+00 7.952958409067788281e+00 4.410105107930008650e+00 7.091258090247445800e+00 9.089242453236590080e+00 7.187420847687492120e+00 7.607303859805058188e+00 1.173088384643239657e+01 1.129135371969404389e+01 1.008532359786597787e+01 8.298280118317585163e+00 1.050361067610853283e+01 9.720953643861051319e+00 5.988590402596823736e+00 7.379197030463345186e+00 9.901950686001660173e+00 8.298230460560397148e+00 9.518389923759624338e+00 1.156824142543404221e+01 9.067211682049340027e+00 6.714605878909270409e+00 1.041279423021179262e+01 1.135075935135981773e+01 8.571506937779135527e+00 1.006620341831308174e+01 1.352859479662725484e+01 1.341296496151547579e+01 1.426501121571368813e+01 1.333652912305123373e+01 1.584651623877729421e+01 1.474007000175457804e+01 1.105447254532361079e+01 1.291017843428981138e+01 1.495957963281488645e+01 1.280400524155774455e+01 1.067963176692621730e+01 1.430899296136831644e+01 1.551940035880751445e+01 1.432790927401606318e+01 1.599696447821896506e+01 1.368236418060224757e+01 1.499659624884612974e+01 1.855729542585179459e+01 1.856658266311301020e+01 1.742828160922568870e+01 1.798994318081128441e+01 1.887198898086512244e+01 1.563877181208928313e+01 1.341788099248076982e+01 1.566399231032637829e+01 1.515022491781657443e+01 1.130588291504795606e+01 1.191329516138110911e+01 1.470753564638667399e+01 1.014897361632158201e+01 1.363123939588639111e+01 1.570541278523764461e+01 1.362380228623574041e+01 1.649359699782237598e+01 1.721128268407581530e+01 1.948868078778745883e+01 1.782665232657600285e+01 2.167791073247800071e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
46 1.992228118642740853e+01 1.969915485413158862e+01 2.511515613763676669e+01 2.579602947100963206e+01 2.013042325542578936e+01 2.012740061961285321e+01 2.035387529815146479e+01 2.348418982427881119e+01 2.253633186364358210e+01 1.962991037598538924e+01 2.360811623367784406e+01 7.688363592382271960e+00 1.040310615175832787e+01 1.167379591836622765e+01 9.272427347017369925e+00 6.205169034314848453e+00 8.727185041964208523e+00 6.867904701796942568e+00 6.458506501217521567e+00 9.258634808394500482e+00 1.192262687982699099e+01 8.572430978712773708e+00 7.438571412584102482e+00 7.685716193383217210e+00 4.303010813444752003e+00 7.368678091481774217e+00 9.137458599014911087e+00 7.296314296578514380e+00 7.645194155175663475e+00 1.191580237157864097e+01 1.107380708393503355e+01 1.058362924599361321e+01 8.825602473292640582e+00 1.073286234962413666e+01 9.922857355874478813e+00 6.268328649845338774e+00 7.419370929732721720e+00 1.000814762251702739e+01 8.528174189150206530e+00 9.797130876835504765e+00 1.106002427568966873e+01 8.584829847244845880e+00 6.211064125878800191e+00 9.740172592173944821e+00 1.079127746353162465e+01 8.096428629513345854e+00 9.484796003410833620e+00 1.278122944850302467e+01 1.304769481065128822e+01 1.400139515621528830e+01 1.320289950700709092e+01 1.552000021307491018e+01 1.456236403185178752e+01 1.088145665266119444e+01 1.268472422474013506e+01 1.493426302057259392e+01 1.270402124101769203e+01 1.072222184076189500e+01 1.423536651249075646e+01 1.600626100007372443e+01 1.470871950406043105e+01 1.623593427046994364e+01 1.353933046266767448e+01 1.505198766609475314e+01 1.843449732370908833e+01 1.846532762354533475e+01 1.706306792165386810e+01 1.764285967634722141e+01 1.851660892284158422e+01 1.545085048699785979e+01 1.340604201044208921e+01 1.561696350119639476e+01 1.475825559436433565e+01 1.087706347398873952e+01 1.151849882873715991e+01 1.413705536816360464e+01 9.676069478894310905e+00 1.314185197579733000e+01 1.502797833907414748e+01 1.352845299507812271e+01 1.647879984765334882e+01 1.672342825249542031e+01 1.926586120936980961e+01 1.809777205280323287e+01 2.154497778466174296e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
47 1.971501688088668303e+01 1.966551535570833309e+01 2.487101921519569458e+01 2.567808316804017466e+01 2.007340372365276693e+01 2.009421180615990465e+01 2.012778785579322260e+01 2.332430567503477192e+01 2.265497013170277896e+01 2.010969193529959753e+01 2.409159294896221581e+01 8.195192645353476024e+00 1.073596409849619704e+01 1.210409901240753250e+01 9.087655211123793819e+00 6.154217427576351263e+00 8.801949109466926657e+00 6.533228381345808522e+00 6.431524326818983006e+00 9.216212785592505341e+00 1.187480173382449955e+01 8.794958768647598291e+00 7.445127840523984020e+00 7.915095344532912414e+00 4.211388612059684178e+00 6.923695826070393800e+00 8.828219411604333544e+00 7.082633284122685779e+00 7.834347846285433015e+00 1.180569222354157688e+01 1.143211334942076363e+01 1.043412852265568347e+01 8.993672793198067339e+00 1.084809767642569867e+01 9.693984466994683302e+00 5.991773917119634696e+00 7.652824246458439283e+00 9.944255377681356478e+00 8.225064162839577975e+00 9.855031228926158349e+00 1.127641933261286411e+01 8.800813678741114643e+00 6.409071377085992616e+00 9.768915908825031025e+00 1.064742012866823195e+01 7.930944577746228852e+00 9.164941943153705139e+00 1.275710594160564071e+01 1.288392885471679961e+01 1.375386127416500059e+01 1.263999551675788169e+01 1.507714970459474202e+01 1.476552680691123420e+01 1.116879916459640221e+01 1.293754156111364928e+01 1.510979251742964280e+01 1.257787795475224613e+01 1.074859573370565791e+01 1.413309022671049320e+01 1.587489081733653151e+01 1.468658110610576450e+01 1.637329292264512404e+01 1.375374987233618285e+01 1.533570170966225987e+01 1.876807028346723172e+01 1.885385331242153129e+01 1.717297833149134689e+01 1.762024914213123949e+01 1.871292278730299330e+01 1.560539827510485544e+01 1.324472313698085735e+01 1.528324416687277498e+01 1.462488777630861669e+01 1.080958832446989248e+01 1.144098360754207988e+01 1.412912408125881569e+01 9.759690209946736417e+00 1.330739074067213679e+01 1.499601010879837482e+01 1.315455257215366380e+01 1.612128339712790392e+01 1.689802955403322571e+01 1.908389037740044714e+01 1.771156306835150573e+01 2.119729231296675920e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
48 1.923057842154892683e+01 1.939489363682073275e+01 2.457212755040425733e+01 2.549161907194032750e+01 1.970403689224236388e+01 1.979452834543387496e+01 1.936865225812974245e+01 2.267156563546761561e+01 2.187966333075479142e+01 1.963786753064977120e+01 2.366982435072730340e+01 7.531881930967162297e+00 1.041888134583625458e+01 1.169112087795263655e+01 9.188692527922508901e+00 6.494690567150522398e+00 9.211679109860812176e+00 7.189715865841690423e+00 6.747468667655760477e+00 9.195977103161974142e+00 1.192027792424994459e+01 8.850426399256114962e+00 7.652329494245858399e+00 7.714966612297588178e+00 4.036388546314507941e+00 6.487066789410390832e+00 8.528832937942864234e+00 6.741359817847460967e+00 7.065735508307070312e+00 1.133532976847018325e+01 1.081190367101699579e+01 9.898926949536837938e+00 7.986719068574709368e+00 1.009063301890483366e+01 9.617970133294326374e+00 5.839657004502113224e+00 7.383990238517652571e+00 9.977291035554268106e+00 8.841310449747984634e+00 1.033041648914760913e+01 1.196957022382430047e+01 9.545428986867472432e+00 7.147615044877419166e+00 1.053364391602203476e+01 1.136288716118516007e+01 8.841951748973565728e+00 9.876781643780095266e+00 1.332275446397393637e+01 1.329197890657590264e+01 1.437719110065582484e+01 1.353904228234917895e+01 1.619197005837214931e+01 1.541445777871350309e+01 1.172778854710882257e+01 1.348645457454430918e+01 1.572741814782612124e+01 1.361172641314900389e+01 1.119813291494294560e+01 1.470834531791872379e+01 1.653998428323023262e+01 1.493854924798010941e+01 1.641696424479366456e+01 1.371034452333036313e+01 1.547768398395743183e+01 1.891751353839932648e+01 1.851673465437020027e+01 1.699477025385203532e+01 1.783340346271848986e+01 1.876035474032221018e+01 1.550805193672794857e+01 1.352948623173940490e+01 1.603643553790973186e+01 1.508907157469283788e+01 1.120272516566711118e+01 1.125974856040796013e+01 1.415917117835013350e+01 1.019197579419122235e+01 1.381216950721545800e+01 1.568508972364992893e+01 1.357843573537924620e+01 1.628032571375137749e+01 1.721821807745477528e+01 1.965320255335260313e+01 1.842758615614457085e+01 2.209402350852971963e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
49 1.931697946502029950e+01 1.936281613020000947e+01 2.439195101233710616e+01 2.544333601519285182e+01 2.009777793959412406e+01 2.022408489526353037e+01 2.004163785752787064e+01 2.346126869397795645e+01 2.259078141613101209e+01 1.971112883119233317e+01 2.411436039296750522e+01 8.364383584231328328e+00 1.130254241830788153e+01 1.191357533086567422e+01 8.946592951877912370e+00 6.553612326404652855e+00 9.420442336754488721e+00 6.990638789112053608e+00 6.556241856738120433e+00 8.885098410186685669e+00 1.150574893164547419e+01 8.467999124697835001e+00 7.207186472999715043e+00 7.426260645530352811e+00 3.943868905204341857e+00 6.971632966299466716e+00 8.700214713798605004e+00 7.020791060281187157e+00 7.471197930662537345e+00 1.171030400014921646e+01 1.118078874002034340e+01 1.050079815176218290e+01 8.982243066800526421e+00 1.123914151890953406e+01 9.930429780155234809e+00 6.337687149908076023e+00 8.164700446162774128e+00 1.044963309451599720e+01 8.445235521922693778e+00 9.685759714528677122e+00 1.122650058923306204e+01 8.631813459762796015e+00 5.881525395034405079e+00 9.294739481132047842e+00 1.047129059052251243e+01 7.927924517627019441e+00 9.282325095726696063e+00 1.267409774070988249e+01 1.252411385225481411e+01 1.361013193842520685e+01 1.249127666723912711e+01 1.528348712384339336e+01 1.461163048464681502e+01 1.085407868303585488e+01 1.295625817933667179e+01 1.492938536136632521e+01 1.268879329748803819e+01 1.017531762472030898e+01 1.362327695629725355e+01 1.547661565872608236e+01 1.438664347604060012e+01 1.620485044569501198e+01 1.366869514283995102e+01 1.506500127426696700e+01 1.856177885421002571e+01 1.849979291836432083e+01 1.693784740823195278e+01 1.770089293766794469e+01 1.859942941032469932e+01 1.532934870873227595e+01 1.301035295340544629e+01 1.522751753508847905e+01 1.441027540093376835e+01 1.045841477742156478e+01 1.080946136261974289e+01 1.375149509209352594e+01 9.619171443532968269e+00 1.312704254540920168e+01 1.532346602659528045e+01 1.349928033314913911e+01 1.582782729294194546e+01 1.656739625863705712e+01 1.893143303919632459e+01 1.770877044177531090e+01 2.114680157712612640e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
50 1.946997390919947080e+01 1.889563887477372006e+01 2.436818554771281953e+01 2.512972927887005881e+01 1.946954360111811511e+01 1.968938586333275964e+01 1.924197634076838526e+01 2.267638547859588627e+01 2.210913702925835267e+01 1.929060474418378135e+01 2.350884573525783594e+01 7.137230795347226042e+00 1.016867373876070424e+01 1.124755748931498189e+01 8.826058028117506282e+00 5.701108258291449182e+00 8.470456358591135881e+00 6.899535225576881814e+00 6.289482354430916189e+00 9.841615649371075136e+00 1.238686341188022411e+01 9.497701417675409985e+00 7.539948039990957973e+00 7.774127375319272559e+00 4.089445980245101531e+00 6.578141888196142872e+00 8.774676995912589206e+00 7.121577247938104094e+00 7.204241697276660084e+00 1.159321224399534067e+01 1.107552277792455264e+01 1.012923264041823579e+01 8.536934271495059789e+00 1.093947268965511022e+01 9.755568018925385942e+00 6.297988041714321028e+00 8.096836000433958347e+00 1.020321868989294600e+01 8.457870524677311153e+00 9.889731688546135047e+00 1.176795255305672327e+01 9.512187109786538031e+00 6.830929205895469813e+00 1.017540957998665796e+01 1.123274577809973351e+01 8.568453144512242048e+00 9.834500407852200254e+00 1.340288430113407614e+01 1.354764295138864760e+01 1.449058726397680985e+01 1.383238184494689449e+01 1.641708536013476305e+01 1.588343015795378221e+01 1.215612777245655352e+01 1.351063081479890116e+01 1.596304973652323866e+01 1.383493562453724124e+01 1.126870140926868480e+01 1.465339499900572662e+01 1.615675947392129075e+01 1.466238579335470149e+01 1.607151000742062408e+01 1.369298142004348229e+01 1.529609043604654417e+01 1.862844041278737350e+01 1.862588564160367710e+01 1.724287941689765447e+01 1.779573035892897437e+01 1.832145062563915161e+01 1.517413778314599071e+01 1.315837295574663379e+01 1.559891435455910269e+01 1.517451387685161102e+01 1.132376229763762332e+01 1.188011487902421770e+01 1.473961859143092212e+01 1.050961009880727381e+01 1.405574820452638107e+01 1.613735833920260276e+01 1.439400496099253957e+01 1.689162504430241540e+01 1.731398723618949376e+01 1.988138773805441062e+01 1.854163952182177511e+01 2.229702757130575819e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
51 1.958166130292488205e+01 1.935580430390859519e+01 2.463814973393390062e+01 2.549141135031493022e+01 1.997711591287059818e+01 1.996820190522739935e+01 1.969942859667405699e+01 2.304108992366998976e+01 2.237123287466689447e+01 1.896931138879213208e+01 2.306055654844677960e+01 6.862710508569517920e+00 1.002802982481575000e+01 1.176901180421261550e+01 9.152394765451500547e+00 5.791190533767989201e+00 8.397981359424056436e+00 7.155578387365523874e+00 6.195988872205063558e+00 9.375860665156059426e+00 1.187142778815318422e+01 9.259952421063943007e+00 7.496840346052901616e+00 7.928945422343772087e+00 4.263922497660599831e+00 6.695734387258981180e+00 8.744540446320115734e+00 7.001698323709910632e+00 7.229858340618166679e+00 1.159153684796559780e+01 1.109093544974581569e+01 9.864540040952759270e+00 7.976118774854461080e+00 1.035958112016378330e+01 9.801146055892692388e+00 6.190460764003173466e+00 7.357634675984077610e+00 1.015882815125254446e+01 8.806315189541860988e+00 1.019191959047977036e+01 1.205707576090401467e+01 9.808369238517206767e+00 7.191242826595342308e+00 1.056325850097022645e+01 1.183234102198745852e+01 9.121645635423549336e+00 1.003618057267344277e+01 1.365604543137466642e+01 1.389696424993284296e+01 1.492716678762924154e+01 1.427616390526742229e+01 1.670619814144997761e+01 1.610288414112514488e+01 1.237320207990773469e+01 1.426046032260551399e+01 1.636024033235034381e+01 1.412535854592954188e+01 1.184687134236953732e+01 1.534054095139922147e+01 1.644649170360791857e+01 1.467233961460756397e+01 1.610725071569697064e+01 1.368004682251589088e+01 1.518097916607125164e+01 1.862532258655906858e+01 1.836652956725551178e+01 1.705946038512185225e+01 1.807074525731015768e+01 1.856837762191706886e+01 1.549962137846336674e+01 1.339827107105315385e+01 1.582883449826699618e+01 1.491003799562718868e+01 1.121252135257030780e+01 1.217860909717425244e+01 1.483172984668653349e+01 1.045900700189348420e+01 1.398893594795282525e+01 1.641879471117150402e+01 1.465212902191429656e+01 1.699623343469800218e+01 1.763707993099141191e+01 2.001471334995827434e+01 1.819401537700461802e+01 2.182604200826729368e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
52 1.940260537980061883e+01 1.900719822473369192e+01 2.475617814247997117e+01 2.537402702043472047e+01 1.988994597966233613e+01 1.994214000694807254e+01 1.959517143828433561e+01 2.299977445998651504e+01 2.234137678855626419e+01 1.996460933552891603e+01 2.349640037517412949e+01 8.009660823889049652e+00 1.088815249341330293e+01 1.247101125337913352e+01 9.523659203980248122e+00 6.645049163099403522e+00 9.339363856746945913e+00 7.341449933795376914e+00 6.535948232970675065e+00 8.657860936240822980e+00 1.141866127519144669e+01 8.692577427364248877e+00 7.408590052261941672e+00 7.591061579141047844e+00 4.078307751928154090e+00 7.024809525930366227e+00 9.006177037387626427e+00 7.145288545504527633e+00 7.889456822380105372e+00 1.164281115531278843e+01 1.099847889587662664e+01 1.032075823722283836e+01 8.595480152403460750e+00 1.061059845081445907e+01 9.735318436273118436e+00 5.915072085080070430e+00 7.422325271475384234e+00 1.023526143513597475e+01 8.410484446955805993e+00 1.012575712311193854e+01 1.161571993616795240e+01 9.044900225901205459e+00 6.668507221080899328e+00 1.025761986352419797e+01 1.087697017115781506e+01 8.295539110215052858e+00 9.744697921488922887e+00 1.303624620920274424e+01 1.308455604991219623e+01 1.397748798703228346e+01 1.305229156776531596e+01 1.567611627602080304e+01 1.475161195143728499e+01 1.114888224956675344e+01 1.302243489495535123e+01 1.528768220027363967e+01 1.317925748678235998e+01 1.074178684054829880e+01 1.412446957529227376e+01 1.598009876046250355e+01 1.457967388696018496e+01 1.605219764612641242e+01 1.351263870308933157e+01 1.494913491421518970e+01 1.836356402706244495e+01 1.815988727913231315e+01 1.664507486099673628e+01 1.706994948381864674e+01 1.770307671387949355e+01 1.453017768216241379e+01 1.227844671306947610e+01 1.469313660620944972e+01 1.418283279532178298e+01 1.032722111376978091e+01 1.075122448102364814e+01 1.360372794556350584e+01 9.681597392830653348e+00 1.323953247411536260e+01 1.575330786873199962e+01 1.375768671929085407e+01 1.586151506558491597e+01 1.648921441642049146e+01 1.879064320254176579e+01 1.760349160505451138e+01 2.136965423033369404e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
53 1.986955582703192391e+01 1.949022400581315395e+01 2.532745881249233477e+01 2.601189986267931431e+01 2.043973303302671596e+01 2.006215407614375934e+01 2.051575612259573944e+01 2.385244693548829531e+01 2.294115484433258700e+01 2.086480702594744585e+01 2.443344103465302553e+01 8.169442091950795515e+00 1.091751370993390857e+01 1.172537849022551271e+01 9.182416120257483882e+00 6.184824499397015174e+00 8.828131087295533419e+00 6.571963421226896251e+00 6.183432560594726013e+00 8.880452599089254662e+00 1.164953192591162789e+01 8.794041410237792178e+00 7.702614007651290784e+00 7.532855102900064104e+00 4.129582348843848116e+00 7.244239696715835564e+00 9.035431524125618452e+00 7.313235217989936032e+00 8.145841454866065590e+00 1.205888813686192407e+01 1.154472191080497367e+01 1.110434207671727691e+01 9.538528253444944482e+00 1.117804311496633751e+01 1.020742755815297542e+01 6.300466282982584154e+00 7.758471582751911733e+00 9.879044407386915694e+00 7.874381915603763993e+00 9.201499260825045212e+00 1.078424775298164917e+01 8.280807857663749161e+00 6.140036853302903275e+00 9.590998229314912749e+00 1.011568512501347250e+01 7.122857265329304077e+00 8.891524382388034553e+00 1.230672430701424247e+01 1.224739177981292393e+01 1.362861912177723234e+01 1.262787821674941746e+01 1.541110420649271617e+01 1.472974776902147021e+01 1.098945812596082305e+01 1.281291580141833464e+01 1.521506547330227832e+01 1.277116994229798230e+01 1.051223290790112053e+01 1.411429183107760643e+01 1.546862479436605042e+01 1.407286329324481855e+01 1.576644504388691281e+01 1.342427105829061773e+01 1.484780670121599577e+01 1.834739125953303684e+01 1.840978089377130900e+01 1.723753673462757519e+01 1.739039701235645552e+01 1.831715672669032458e+01 1.550540715383116996e+01 1.286183804335158243e+01 1.514736928956143736e+01 1.467284785648962497e+01 1.077073689543535728e+01 1.099747188804164288e+01 1.376355088923457082e+01 9.898989989550893043e+00 1.339250641808981968e+01 1.539655192677999374e+01 1.356510863743756090e+01 1.643886333556604029e+01 1.748009600158344767e+01 1.965841975021427857e+01 1.777278789105904622e+01 2.209370345848352457e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
54 1.968703429190304988e+01 1.858179479510978283e+01 2.397506364475441742e+01 2.544333601519285182e+01 1.993475436679709034e+01 2.000317614769440056e+01 1.945990816416154701e+01 2.290451160139760844e+01 2.232686518472203829e+01 1.962350702151345061e+01 2.390954434653492200e+01 7.314920941175867775e+00 1.020593927292682856e+01 1.143020203082284958e+01 8.734184400566514128e+00 5.820551023999247953e+00 8.574360591571736023e+00 6.920047586255679839e+00 6.414635294864082127e+00 9.512328190138980233e+00 1.186626833729033059e+01 9.014819224049640312e+00 7.616279373133298947e+00 7.798802243646147936e+00 4.042079127887247658e+00 6.670028463910631977e+00 8.517849739911095952e+00 6.743307742066835253e+00 6.988530555646145004e+00 1.150235100953467615e+01 1.084500767041742364e+01 1.003940026846490596e+01 8.163743158922994070e+00 1.040515007778516399e+01 9.454281421792856577e+00 5.806256887027720914e+00 7.696549633183335182e+00 9.995428148978676930e+00 8.381181307374136580e+00 9.942350382796687924e+00 1.147137454333286755e+01 9.306353909990697559e+00 6.758744211403216795e+00 1.012097511970132935e+01 1.116808589640919713e+01 8.712099916179477432e+00 1.003015851995722407e+01 1.340698762825111423e+01 1.335000021186143648e+01 1.442760449363022879e+01 1.383316099641115571e+01 1.655807712429078293e+01 1.562044025592893881e+01 1.189577124637641781e+01 1.366465269234329583e+01 1.594008813513037559e+01 1.352082778003907748e+01 1.083628283432811301e+01 1.422577201700596383e+01 1.569440745501247569e+01 1.413069419709733943e+01 1.577365626142178634e+01 1.345440931588019851e+01 1.492590643390854588e+01 1.835199070969924051e+01 1.802049971513235249e+01 1.688366146219729202e+01 1.780667900327613751e+01 1.815323679148975700e+01 1.502230193236690781e+01 1.286719295737454161e+01 1.511230441781943235e+01 1.467755976376422034e+01 1.084617555167257663e+01 1.138990754635649694e+01 1.446714611805670891e+01 1.016181184233793822e+01 1.388977156160867210e+01 1.610378010980408447e+01 1.421232462821087417e+01 1.696296529495212368e+01 1.715264784126084407e+01 1.968767793833928437e+01 1.812833353696662542e+01 2.182476211261565879e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
55 1.958614309772562478e+01 1.949260155612256185e+01 2.500971994276718746e+01 2.579357277649858915e+01 2.020484463588233481e+01 2.015292699068543669e+01 2.043222188194438615e+01 2.369190827584733583e+01 2.273031911917895798e+01 2.015885241111083559e+01 2.407374910227462195e+01 7.356268936523868263e+00 1.012153237773716263e+01 1.150184833895589875e+01 9.060648977073807231e+00 5.888972211763341846e+00 8.613517606406247751e+00 6.950748700298086113e+00 6.456968246530642830e+00 9.522769863135124524e+00 1.193838536307760378e+01 9.101997536228473962e+00 7.448525251595351726e+00 7.928588464324338503e+00 4.376436878458753732e+00 7.040355256544582829e+00 8.930956451245593897e+00 7.539823452602662179e+00 7.284931318025876124e+00 1.202719037490054355e+01 1.122650920695234156e+01 1.041969650691019744e+01 8.256589190705380332e+00 1.034764512749575083e+01 9.688936109640675198e+00 6.133899611475256641e+00 7.673830097848871823e+00 1.005906779607568424e+01 8.491025527799227035e+00 9.611305653550459738e+00 1.133245012942801289e+01 8.815945857144136255e+00 6.433601975104640935e+00 1.011455717386656872e+01 1.108178873788671126e+01 8.508560926646222100e+00 9.750733480142248055e+00 1.311059901828831187e+01 1.300746498148019015e+01 1.449091233373431997e+01 1.369767606949769956e+01 1.606232420013737183e+01 1.528898368954324738e+01 1.153672090703400777e+01 1.304889605229802818e+01 1.550541972412935721e+01 1.311552342935451954e+01 1.075479861017168481e+01 1.440689512931400529e+01 1.518642472484756745e+01 1.402803853140743051e+01 1.564919151527264241e+01 1.340570152056191766e+01 1.514014117228782119e+01 1.830768268178103853e+01 1.854133057668532558e+01 1.734110946658353569e+01 1.786474960356224884e+01 1.843239742980435736e+01 1.542514775877327793e+01 1.344866302730073038e+01 1.553749773744674378e+01 1.504077301012459600e+01 1.116569458223414024e+01 1.144177434550841355e+01 1.437997012604748015e+01 9.990172305148554699e+00 1.349941601424383286e+01 1.555059814325169043e+01 1.389396617867642014e+01 1.632754056724158787e+01 1.713165223511552071e+01 1.954529164471399127e+01 1.804760186196411809e+01 2.202263717441412538e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
56 1.983920944121665997e+01 1.933639727101385830e+01 2.503483565222890306e+01 2.612351518212774693e+01 2.051417728141822749e+01 2.008949385894337425e+01 2.063702682082479711e+01 2.399480209587824220e+01 2.302875584908124296e+01 2.026227514148821740e+01 2.420736106474040383e+01 8.502069811440961189e+00 1.113431262137819466e+01 1.173988516872891097e+01 9.391474737693606301e+00 6.364744209723092183e+00 8.787589164960527555e+00 6.775716262655292255e+00 6.546687637038846042e+00 8.873988687335355507e+00 1.168642619830935558e+01 8.847084851077427814e+00 7.575409089403939866e+00 7.210048771430757064e+00 4.005525941693370839e+00 7.287658660115821085e+00 9.203125784990261238e+00 7.522484121337405405e+00 8.159636594929455811e+00 1.226400563461271531e+01 1.126440413811912755e+01 1.025795196895707306e+01 8.702868612445525898e+00 1.109429708665472880e+01 9.907273304187112828e+00 6.223819262558476950e+00 7.825117186032462868e+00 1.013054206650215860e+01 8.304612945284507219e+00 9.487226600452810743e+00 1.090871281998549591e+01 8.330921083882282474e+00 6.377036886048536246e+00 9.977415831304115912e+00 1.074018022602339428e+01 7.950461291827086718e+00 9.680506421360391300e+00 1.319143623909734941e+01 1.271474517268569038e+01 1.387765329825647243e+01 1.269125766729185756e+01 1.550308931817226643e+01 1.467841883423742289e+01 1.093464401116461815e+01 1.271327222118647171e+01 1.504117087151919918e+01 1.278881389817555814e+01 1.041601880290422777e+01 1.394683455656423376e+01 1.492326736473415316e+01 1.400755455387919213e+01 1.565347832123884153e+01 1.328294006173620190e+01 1.470553011978989488e+01 1.809869029004491026e+01 1.821233238377804753e+01 1.689459604352745004e+01 1.735456621204879113e+01 1.803341382780032376e+01 1.514091076282704584e+01 1.302424207112017740e+01 1.558586543336909713e+01 1.479046685216602697e+01 1.097443533869699905e+01 1.115355937435032629e+01 1.399246819488674554e+01 1.001116856532323673e+01 1.354975195685817013e+01 1.571456212785468054e+01 1.386824400982566452e+01 1.672056052830224004e+01 1.738503592432981648e+01 1.948865617782298898e+01 1.787437199002673793e+01 2.222994271861566062e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
57 1.951547315836220164e+01 1.935171419536914428e+01 2.436995929167453667e+01 2.531072854329436339e+01 2.038760763060720294e+01 1.956582376689567226e+01 1.973546410352024338e+01 2.322845607256826739e+01 2.240067475733344438e+01 1.951927687976019854e+01 2.344107830090619160e+01 7.544370373043097544e+00 1.063174399936686854e+01 1.158066140129577981e+01 9.226074481053018417e+00 6.100118776245975205e+00 8.605230115426705240e+00 6.828351729044808138e+00 6.508784907873000236e+00 9.211766656588750379e+00 1.185499321160073904e+01 8.963031397409096712e+00 7.531274249175162971e+00 7.865523940640967382e+00 4.258132785680977861e+00 7.008813260659852773e+00 8.826767568717478696e+00 7.172582155802184722e+00 7.545304825456133457e+00 1.175711240358863030e+01 1.099561619136682999e+01 9.654537964050591725e+00 7.933737463587620553e+00 1.023684532582360163e+01 9.628565165254862279e+00 5.922598837554226670e+00 7.378557670118039979e+00 9.661591736334077751e+00 8.403062469374397381e+00 9.830188233385259267e+00 1.183117986191149207e+01 9.538844263715851923e+00 7.066916587945677897e+00 1.047400332636013154e+01 1.135662194870562125e+01 8.564546848643566079e+00 9.964514312818057107e+00 1.340697556698037474e+01 1.342013392040413500e+01 1.463024260151764544e+01 1.357703720323342722e+01 1.620573919549354969e+01 1.583302442333761917e+01 1.206500508646598746e+01 1.357594311976604118e+01 1.596262433739708086e+01 1.348684267165982398e+01 1.098158251055315304e+01 1.465017577746542443e+01 1.539222445028318909e+01 1.416499224140338775e+01 1.581509647959737919e+01 1.325989655562544911e+01 1.473822052721502551e+01 1.810549956991686926e+01 1.863836662166094271e+01 1.714976288233501123e+01 1.775716188492511804e+01 1.841038957121371666e+01 1.530010153569570619e+01 1.327439633297903043e+01 1.574221914005486767e+01 1.491278666157319321e+01 1.098272653861956449e+01 1.171709593911977443e+01 1.455056213080760763e+01 1.076920492860851120e+01 1.441851507236259344e+01 1.600138650736993995e+01 1.410763887967433661e+01 1.681093812420870393e+01 1.709436337090957991e+01 1.965019505064009309e+01 1.818086541133106238e+01 2.238295691252484687e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
58 1.959839615431657478e+01 1.908439070627624901e+01 2.431446185162045737e+01 2.486241232053346906e+01 1.960762473414592932e+01 1.952583117879486707e+01 1.997609286423246644e+01 2.318891152819666246e+01 2.183705564490506390e+01 1.919373618167244544e+01 2.268453719988612960e+01 7.159853989043663880e+00 9.904273674399288296e+00 1.109859194735984822e+01 8.620672640351234151e+00 5.457414052880471544e+00 8.242506302973426457e+00 7.057299386419207288e+00 6.306257955604213095e+00 9.463124429588877007e+00 1.205312474523962329e+01 9.600601764990216225e+00 7.679879288277517091e+00 7.912875978772344610e+00 4.145815897936794947e+00 6.455911788021307274e+00 8.556730799061677217e+00 7.103410844670904112e+00 7.305179220257365991e+00 1.145569463946580058e+01 1.094597971755287524e+01 9.570623621342434717e+00 7.492245250251459154e+00 1.011802346707847811e+01 9.643412139523350746e+00 5.981615700237832733e+00 7.406462181523768784e+00 9.990410986817652272e+00 8.832496066335009388e+00 1.010298845959231784e+01 1.192377852455790510e+01 9.843452286329384293e+00 7.378323120704135540e+00 1.076461075575194037e+01 1.160613552852446873e+01 8.883133560711829801e+00 1.018642978592563431e+01 1.356576294326393040e+01 1.359444103107466795e+01 1.496395795519993044e+01 1.362866021371642411e+01 1.653688284439138911e+01 1.578924609652718303e+01 1.197049657876070050e+01 1.342827685322168385e+01 1.599706702314633233e+01 1.387109228987128873e+01 1.161534290517867340e+01 1.509167391569931915e+01 1.616710827665961503e+01 1.456141773213277624e+01 1.612570325086070611e+01 1.346499839728260994e+01 1.482577425240154767e+01 1.838366583880895178e+01 1.826511072150807991e+01 1.706234509090297280e+01 1.756646142464049731e+01 1.833809249748914993e+01 1.516257014918630119e+01 1.311362817073104203e+01 1.534421831683716597e+01 1.465780142588004864e+01 1.073866776746839058e+01 1.192372283826212076e+01 1.480974779422450638e+01 1.103296524869859319e+01 1.466238239644971486e+01 1.668805854485130524e+01 1.457465973495452616e+01 1.697280011615339035e+01 1.765579403845962503e+01 2.009195213639731747e+01 1.864023621035222433e+01 2.244871980235205200e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
59 1.938303764513171501e+01 1.905920181457774731e+01 2.529688192857679496e+01 2.568727397941685098e+01 2.028129220911170094e+01 1.967337859934658084e+01 2.079570431982184431e+01 2.394305287584557007e+01 2.275007494411797992e+01 1.996806581006901737e+01 2.357752167359752704e+01 7.954077030190192410e+00 1.122027053301845889e+01 1.224372355426001313e+01 9.639433810253363433e+00 6.620184446495156472e+00 9.262657562961871704e+00 7.205117596727071749e+00 6.454797737269355906e+00 9.026574920384346612e+00 1.148784374051873414e+01 8.436391858474575400e+00 7.371406696153625759e+00 7.206585104968404210e+00 4.044419582807724289e+00 7.365074836575321804e+00 8.883111494356512594e+00 7.022513348812265299e+00 7.680961155351957892e+00 1.168539367430526887e+01 1.108734202154097659e+01 9.896129066056403190e+00 8.595594912792213549e+00 1.118025845973325616e+01 9.624168535499403987e+00 5.918832995157725207e+00 7.724103085462582285e+00 1.002903265358231977e+01 8.510498900442101444e+00 9.929546343328990332e+00 1.162469069224640172e+01 9.042859300011176771e+00 6.591625568646652944e+00 9.986675838251329651e+00 1.090456323410495365e+01 8.119685519319769895e+00 9.721130197304095333e+00 1.302785599071868106e+01 1.265603381512708658e+01 1.360194294566697693e+01 1.202715481330685954e+01 1.472904480483225598e+01 1.438929986964397401e+01 1.060732781031918748e+01 1.193716084171567005e+01 1.466171069771576008e+01 1.275667044461526878e+01 1.026616356165352251e+01 1.375507150004510137e+01 1.576360179933676164e+01 1.449003907640111422e+01 1.578557602849717689e+01 1.318587722745655988e+01 1.458868970562046030e+01 1.817607645731894550e+01 1.838281973245466006e+01 1.655430848355178597e+01 1.697120113320375978e+01 1.795033648199088816e+01 1.467292006670871451e+01 1.258535167907547248e+01 1.471706055410389880e+01 1.409637168441006061e+01 1.025452128768207771e+01 1.078007678408669534e+01 1.355490502924967799e+01 9.688010155340794682e+00 1.325387762503290645e+01 1.492520807165798047e+01 1.291773072341143447e+01 1.573655681380887650e+01 1.642944466659849567e+01 1.865456742606486884e+01 1.730506892162228993e+01 2.165012120906772708e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
60 1.937040364977641360e+01 1.899528457691779337e+01 2.446458158594257881e+01 2.538934408206964477e+01 1.982684572732881989e+01 1.950233313698764803e+01 2.041436229212972009e+01 2.357703917642842129e+01 2.197243054402229134e+01 1.882260212510447772e+01 2.285204694552693994e+01 7.867655246042362549e+00 1.065418256270494979e+01 1.180569505160515398e+01 9.440672806876913015e+00 6.465028904136613797e+00 9.230531283584729962e+00 7.586328843779814868e+00 6.722880049647174339e+00 9.770778558456409968e+00 1.184370198788106698e+01 8.714689544476073024e+00 7.239487233829140500e+00 7.617045985453402501e+00 3.906614739395522395e+00 6.571017444883514358e+00 8.585002243515228670e+00 6.793977164567959193e+00 7.111859741916398470e+00 1.122312099339793612e+01 1.066382982372367572e+01 9.640760023320570582e+00 8.283023825022914011e+00 1.028483433999834418e+01 9.386252358380660965e+00 5.638667536435181482e+00 7.169866694534497320e+00 9.506998640848228987e+00 8.792075397121060121e+00 1.000407983693915348e+01 1.176992915876656731e+01 9.454371499195856288e+00 6.999327587736371648e+00 1.052913150927990671e+01 1.179372066515282214e+01 9.007364668041777378e+00 1.038954569527835403e+01 1.374496796948812971e+01 1.375756763745813238e+01 1.488123320654146653e+01 1.351398888330850490e+01 1.627980313655654854e+01 1.539954705966299997e+01 1.160347354695775834e+01 1.351708809321951676e+01 1.554929365746885672e+01 1.317722643135469163e+01 1.049176408577369202e+01 1.386686332080939366e+01 1.538248382810030357e+01 1.401952141244112404e+01 1.602022652546819970e+01 1.335580106359446262e+01 1.422938891683654461e+01 1.792580889133924060e+01 1.837078195330706976e+01 1.696024347291263723e+01 1.738427708508774217e+01 1.844999616617291949e+01 1.530869210335221986e+01 1.301835585163869879e+01 1.527561402336041141e+01 1.468599428990149924e+01 1.083541883940183759e+01 1.144050319204569632e+01 1.423923705806011064e+01 9.916584569345147315e+00 1.334342564301482348e+01 1.528553763002099330e+01 1.346786011987971143e+01 1.626121672229614035e+01 1.742427388144343325e+01 1.945703498266909648e+01 1.775998207228377268e+01 2.212658761616925318e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
61 1.972154819595428421e+01 1.885571678546974894e+01 2.424186277281678059e+01 2.533120986518258988e+01 2.007019295956672877e+01 1.981823347565767079e+01 2.061794510242165046e+01 2.371876082523076690e+01 2.228633618390384186e+01 1.916239110180182337e+01 2.304065345597328474e+01 7.741146810225591146e+00 1.073457102051593814e+01 1.190767593217213438e+01 9.259598866319016963e+00 6.229167425421747062e+00 9.061037328037974348e+00 7.095460179594613948e+00 6.763389515601449631e+00 8.892002631570273152e+00 1.162273028500771233e+01 8.890661722345642559e+00 7.632499953030634110e+00 7.851765440712116018e+00 4.382239565460452901e+00 7.086932967153154017e+00 8.898875048069081473e+00 7.036943070299605196e+00 7.513593377797553430e+00 1.157903850546090396e+01 1.076682782744611089e+01 9.390690822177736763e+00 8.244298052973723756e+00 1.034526603680807533e+01 9.629706675402109894e+00 5.856399791574052216e+00 6.961250592063805698e+00 9.936291697911894261e+00 8.884002549339948374e+00 1.011940058010673482e+01 1.185596175098106464e+01 9.284284361710179567e+00 6.842193479291095670e+00 1.028876907653708273e+01 1.132837512963279814e+01 8.724001994751304778e+00 9.982712959582887180e+00 1.348316464576336315e+01 1.311228557333325995e+01 1.439898928333046868e+01 1.296583905798182812e+01 1.590675497808646810e+01 1.525910823018499940e+01 1.149972248583665113e+01 1.308322547719819262e+01 1.535066191583179496e+01 1.310137957712147916e+01 1.077732075785455912e+01 1.418352461755122818e+01 1.588800018653887314e+01 1.435841785930253067e+01 1.579144354376631831e+01 1.334418317382153418e+01 1.451702571095884764e+01 1.809847066440107355e+01 1.827594395123890081e+01 1.685613670802493758e+01 1.770764567815151125e+01 1.826902468650369471e+01 1.504657218566543087e+01 1.300807661683546890e+01 1.514600851112767543e+01 1.458325821297043134e+01 1.077299715191986351e+01 1.111630060400678666e+01 1.409728087123251328e+01 9.998172990179627462e+00 1.355979966287335614e+01 1.571133644171642096e+01 1.413385783256416772e+01 1.669393787298927023e+01 1.759335282817516699e+01 1.956579904440926398e+01 1.824983423915309544e+01 2.237133760590846876e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
62 1.966820138406753671e+01 1.948534360875294169e+01 2.438530905126496151e+01 2.502872542721144811e+01 1.988156379879892555e+01 2.022943876066979030e+01 2.039001790571884953e+01 2.333179066450704298e+01 2.220583130818676310e+01 1.866863828256457936e+01 2.323654353935529571e+01 7.138633011637669945e+00 1.011907629707531875e+01 1.123791253580051475e+01 8.986299508704240324e+00 5.703199785952783429e+00 8.219854457765451983e+00 7.197179029271032036e+00 6.522871336901498118e+00 9.443621605538774944e+00 1.208337641745866087e+01 9.467883793982093010e+00 7.675149190700663482e+00 8.041390132555942927e+00 4.296721055234473674e+00 6.556745462052683493e+00 8.801522717278405850e+00 7.077570849272415643e+00 7.118980023850033589e+00 1.169740594833232805e+01 1.090266524234426093e+01 9.469293331991412543e+00 7.687634815019240619e+00 1.018429458045069858e+01 9.540977456406084301e+00 6.052209986659644159e+00 7.474556853678304691e+00 1.019202514997849818e+01 9.141888194754887564e+00 1.031280166130114928e+01 1.192299689647539829e+01 9.481731782876561709e+00 6.992639979952691043e+00 1.051476842070102791e+01 1.114590571023005694e+01 8.414001258195863642e+00 1.006395679443462043e+01 1.355209287647028304e+01 1.311439772022197126e+01 1.444730217607792966e+01 1.364954348001463913e+01 1.659272266784142857e+01 1.567808973956188723e+01 1.206414097053174572e+01 1.391196936689168773e+01 1.622575356596266616e+01 1.413127579999219741e+01 1.174273115466658268e+01 1.514785695027666002e+01 1.660382489266413941e+01 1.519753041007165706e+01 1.674979982186781413e+01 1.419628650227344657e+01 1.548990718036983338e+01 1.917597535923706076e+01 1.904942416459819299e+01 1.793242667074116170e+01 1.809650031862590680e+01 1.886650818449757594e+01 1.569366255852673220e+01 1.369079081164115586e+01 1.584132239711358281e+01 1.510169080358981120e+01 1.126456360323637185e+01 1.198867339312242386e+01 1.459219266689457584e+01 1.047162747382468240e+01 1.412122853717602311e+01 1.617005980845108581e+01 1.425031030375215835e+01 1.677016739167992299e+01 1.757795779841428541e+01 2.010502415854389469e+01 1.860187987251563868e+01 2.225178858817178451e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
63 1.952969614157703759e+01 1.919406116345887270e+01 2.511639676265606269e+01 2.628262859762562087e+01 2.061161887890624200e+01 2.035257214438263773e+01 2.160105305315472535e+01 2.454525154072097948e+01 2.348511006155952074e+01 2.045733599471141062e+01 2.459814887426805896e+01 9.210853610613256137e+00 1.131311560316222753e+01 1.214635800029127743e+01 9.285335991735250261e+00 6.447843582493863579e+00 9.133790562956633607e+00 6.246994680914348841e+00 6.504655591967164696e+00 8.633849291595428355e+00 1.123723669497858069e+01 8.298359460141707444e+00 7.366102749329595412e+00 7.601074168260075758e+00 4.150623284454180606e+00 7.299029692127211533e+00 9.059890954837744204e+00 7.574815247339472535e+00 8.269595069034160417e+00 1.224587043104031814e+01 1.183340666975516164e+01 1.089301628912185294e+01 9.025069847806896917e+00 1.162528238186126472e+01 1.030956558182274030e+01 6.598402838710816454e+00 8.387453647011509972e+00 1.020605986525012199e+01 8.212751006563081546e+00 9.260775274738643148e+00 1.067817558723467641e+01 8.323427803747433629e+00 6.131978423811616175e+00 9.628732923153444645e+00 1.045010815794062609e+01 7.679471030287384536e+00 9.013799221453313137e+00 1.250301177628199767e+01 1.183299757596721768e+01 1.310193647905959402e+01 1.207316932063501724e+01 1.500487569961885903e+01 1.415564182435150187e+01 1.047751464252107745e+01 1.244117335968374505e+01 1.454158543304333229e+01 1.228900010750740179e+01 1.022414930258489285e+01 1.382153229774565162e+01 1.548870032787522888e+01 1.464515558241490645e+01 1.650052464322958201e+01 1.381545210493849218e+01 1.482738370674388939e+01 1.852805702242960351e+01 1.885966673823484285e+01 1.729627983700951077e+01 1.763229065166407850e+01 1.851223869942955602e+01 1.544444864524393779e+01 1.318856012434540226e+01 1.498590083384281435e+01 1.444225741760053161e+01 1.062278777101435345e+01 1.055755667678122123e+01 1.333039261989113200e+01 9.226527959437204274e+00 1.280438364034692711e+01 1.496252322136365365e+01 1.315050082320335179e+01 1.610060099679607859e+01 1.704758156959285742e+01 1.906452626565495478e+01 1.799597437347212292e+01 2.234892399721714540e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
64 2.028212761006750853e+01 1.922039807211865536e+01 2.492679914873084712e+01 2.542390998005980407e+01 1.978718147055677434e+01 1.947287948557809045e+01 2.020220901562733573e+01 2.326318307846563371e+01 2.252256171618540748e+01 1.948912829824168114e+01 2.380643138612397181e+01 7.688587877426468431e+00 1.024201883050958450e+01 1.151529387771948798e+01 8.834885326357433399e+00 5.841945551994950137e+00 8.502498452372003968e+00 6.682038318355551176e+00 6.089488805807062199e+00 9.665697450421895098e+00 1.257084477924171928e+01 9.715802530227611200e+00 7.822681599746943881e+00 8.170256033654341721e+00 4.422378122967558944e+00 6.699426221804363202e+00 9.028523264234403101e+00 7.291829318748460409e+00 7.599907851910942647e+00 1.191505836861752421e+01 1.117308990583625672e+01 9.992450052284789663e+00 8.090984365253921951e+00 1.018554433699422823e+01 9.459804257951017092e+00 5.794164882883304557e+00 7.369623770695993059e+00 9.971263783918448809e+00 8.545661026449472786e+00 9.764325465040213814e+00 1.157128663389107004e+01 9.122085387880536800e+00 6.793144719672322474e+00 1.037855120764952943e+01 1.112853448967238101e+01 8.283310798143775244e+00 9.412174355053213759e+00 1.279070819093808886e+01 1.318089939785936870e+01 1.418323347589053895e+01 1.319523076098109904e+01 1.600771128741847349e+01 1.527403571708344465e+01 1.159199071154957394e+01 1.363821940073093231e+01 1.566944029559085472e+01 1.361535119382268810e+01 1.134624712434393423e+01 1.469124699035577386e+01 1.634744656723578871e+01 1.518138954091743464e+01 1.671385463793551196e+01 1.376170419542004275e+01 1.501897081105604137e+01 1.856144125790222077e+01 1.853642860876663434e+01 1.720517752119093302e+01 1.771244215944446765e+01 1.886099914209848905e+01 1.578807321960047005e+01 1.328119532687018989e+01 1.560554105061444474e+01 1.520665482637582322e+01 1.137835724357655387e+01 1.162281062140088039e+01 1.455587158241246648e+01 1.048755658670810220e+01 1.398788331078070257e+01 1.648479601074807732e+01 1.455502309530044336e+01 1.699071292928171673e+01 1.766002616440998096e+01 2.020141768921136105e+01 1.941210645988506656e+01 2.362440135156033705e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
65 2.018319449037484858e+01 1.959598702460110431e+01 2.491081740485345719e+01 2.565672944405733347e+01 1.993286358697226746e+01 1.967830034206466294e+01 1.980090739256658949e+01 2.316987426352003965e+01 2.257289369289845737e+01 1.989047635625458810e+01 2.376216878678664912e+01 8.094037455881172960e+00 1.079298494177708534e+01 1.193708299704251274e+01 9.183550581248821842e+00 6.154639964906100325e+00 8.978557431587709914e+00 6.824280195846095687e+00 7.111334673548056706e+00 9.391852665510350917e+00 1.206319960368375810e+01 8.931169795240387899e+00 7.745636519311882573e+00 7.737715368354932011e+00 4.184010220281169090e+00 6.780724581382759908e+00 9.024417162653723068e+00 7.352995251319538461e+00 7.710821822495784517e+00 1.179591097029267033e+01 1.123094275440670664e+01 1.019416236591518121e+01 8.301106609963685656e+00 1.040938807636550045e+01 9.786472203733566744e+00 5.975758348353161331e+00 7.409320211090781427e+00 9.941179940668378734e+00 8.664587563498844958e+00 9.552632865107643312e+00 1.121860912238896191e+01 8.646188183096912283e+00 6.500780895388214908e+00 1.021288325265994956e+01 1.085579027956818443e+01 8.241004699340837902e+00 9.734426566239132939e+00 1.312138728656413456e+01 1.312268227730671022e+01 1.369850029504858213e+01 1.264409801351503049e+01 1.557550800190797702e+01 1.462129388081009118e+01 1.085271714752351180e+01 1.289124491768818359e+01 1.510311062011777494e+01 1.270467525443676848e+01 1.029223550050662084e+01 1.379910302934368183e+01 1.516564261120574209e+01 1.421711231903758232e+01 1.588059610193409377e+01 1.323768489545166283e+01 1.466417576638940012e+01 1.811486487779288623e+01 1.821563474684924699e+01 1.730369289806750643e+01 1.764932130947558520e+01 1.861618704005596570e+01 1.566319590910175918e+01 1.309618992363201784e+01 1.538194563439916607e+01 1.508269693093313180e+01 1.125115045128002222e+01 1.120183211685113811e+01 1.425124299030310659e+01 1.047712064464429638e+01 1.392136427846433655e+01 1.601629385043189657e+01 1.413589797097438527e+01 1.657833914038550205e+01 1.723442379665996427e+01 1.957074222907409933e+01 1.824656289488486394e+01 2.236711865598259408e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
66 1.932382123529425400e+01 1.928321192055601685e+01 2.502836058311271472e+01 2.583809749353016016e+01 1.990043192984190412e+01 1.948230682513567658e+01 1.945015824598267073e+01 2.294410936397237322e+01 2.275136720948706781e+01 2.037469644288415438e+01 2.419015945305305593e+01 8.930381911634798442e+00 1.113606231011815595e+01 1.256987934853875721e+01 9.673929666883095635e+00 6.603626160475704943e+00 9.232378229157891525e+00 7.183068361014190550e+00 7.031984381969010656e+00 9.151705928457714023e+00 1.178358467579315239e+01 8.187797614965292681e+00 7.315248679269457988e+00 7.132291352486664238e+00 3.849150690240632944e+00 7.159535712882793668e+00 8.976991729384906193e+00 7.319295507657443522e+00 7.813327423469035082e+00 1.187648204042927347e+01 1.139160054652898069e+01 1.048605653840353291e+01 8.586937305478093307e+00 1.078408196499063720e+01 9.762020840044415948e+00 6.080390391448771581e+00 8.077324760329666731e+00 1.014232764016445110e+01 8.384298104692931020e+00 9.890139454886236692e+00 1.139846545696226521e+01 8.975410070007896479e+00 6.792604429557520973e+00 1.040101591816566540e+01 1.106222278381303248e+01 8.024067781582756353e+00 9.501100853056923867e+00 1.283650240498363893e+01 1.260942517526639683e+01 1.352250807877811312e+01 1.246998549210969642e+01 1.535360320909371978e+01 1.475951205664417287e+01 1.113561305525458067e+01 1.287529255481230273e+01 1.498570169305591371e+01 1.284391591697733581e+01 1.033626072798099749e+01 1.378296406992948242e+01 1.528499324125868952e+01 1.386849914356943003e+01 1.572126876167941312e+01 1.311478703828060333e+01 1.462604456929312313e+01 1.808141725180017190e+01 1.820721441706060162e+01 1.669129203352903801e+01 1.715101332596722017e+01 1.769167745790722535e+01 1.487292722364467146e+01 1.252689728696325488e+01 1.464159069086013254e+01 1.436880322415076350e+01 1.042660277147894554e+01 1.087201191185437388e+01 1.364345871938035160e+01 9.837650557094116621e+00 1.351562174661651561e+01 1.542512464581580822e+01 1.353337506334492701e+01 1.598294049021239438e+01 1.637101303944686492e+01 1.878328901320989885e+01 1.779403548785636247e+01 2.230063599826540255e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
67 1.996867877591267515e+01 1.902735749784504904e+01 2.444957407392861981e+01 2.512487380125168457e+01 1.890894754353102769e+01 1.896383558520712853e+01 1.900782481090270792e+01 2.241416155258637133e+01 2.189819101100744092e+01 1.960075628551570404e+01 2.338788120660155201e+01 7.932682458998298713e+00 1.055993383934368701e+01 1.195457446804376289e+01 8.990361561697749693e+00 6.123678690961264159e+00 9.016491568726982209e+00 6.819860772750892863e+00 7.052552228347638952e+00 9.144058433334995684e+00 1.180733659572550387e+01 8.867208009892699749e+00 7.261212391198069049e+00 7.509269023421299316e+00 3.909008022655387382e+00 6.735264847018358481e+00 8.618689084068140716e+00 6.920529484360345762e+00 7.305348531804598089e+00 1.148211208769549252e+01 1.100919788234425134e+01 1.031914581661921737e+01 8.592974813592794803e+00 1.063592629098179643e+01 9.519488090630899180e+00 5.977700593864049061e+00 7.651282893562444620e+00 1.028595511225047154e+01 8.709096264846797553e+00 9.663355411089264990e+00 1.158567856448680189e+01 9.057703194978032002e+00 6.832533657796310500e+00 1.049295817106112239e+01 1.114491274553193279e+01 8.391934154173648963e+00 9.911565797745357287e+00 1.320653099008043085e+01 1.323347828558839900e+01 1.406502417486002621e+01 1.303119757062522766e+01 1.581257397129778042e+01 1.522321840387263592e+01 1.153223946241014453e+01 1.320465507015215323e+01 1.540502148966691642e+01 1.338251226078329026e+01 1.079571909238403471e+01 1.408480760472725635e+01 1.591403266552987716e+01 1.440929395295339077e+01 1.597639533429013881e+01 1.312354339857215990e+01 1.455376040043432617e+01 1.796903890192979603e+01 1.821450526452391827e+01 1.690957049207032981e+01 1.761900777303256760e+01 1.830776170941905079e+01 1.545229875180735668e+01 1.302001107749816100e+01 1.516451728047249148e+01 1.462021413410306536e+01 1.070936868762627370e+01 1.133287577235544141e+01 1.417736596872730814e+01 1.032263364259621952e+01 1.395162051644585333e+01 1.611307351175837965e+01 1.428024944471137481e+01 1.650485680826041701e+01 1.698933913709622345e+01 1.960963196438238398e+01 1.853157502247439226e+01 2.250624569921428275e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
68 1.920488227285362726e+01 1.890386550921750697e+01 2.476145277249981547e+01 2.515102730896268213e+01 1.920791494776630870e+01 1.900189168395514017e+01 1.897779861108312716e+01 2.230029796368989636e+01 2.170680837640630045e+01 1.984210866624073333e+01 2.365307009175272412e+01 8.934293621717564804e+00 1.112655744460223772e+01 1.251204051516176641e+01 9.699711772902036344e+00 6.820020974247778867e+00 9.576704562226607820e+00 7.003741743098672146e+00 7.075133233592139526e+00 9.206217703994504120e+00 1.173016449089486812e+01 8.531898140306166667e+00 7.366638646085925224e+00 7.330185811849873723e+00 3.960528451594492960e+00 6.996377383263530092e+00 8.748581849309665870e+00 7.018798257581133626e+00 7.496291930254886715e+00 1.150381396302986481e+01 1.099758905602749159e+01 1.032811167054553891e+01 8.662422372099205958e+00 1.088807929148641662e+01 9.833792035904465934e+00 6.220518665509341183e+00 8.138046422788526968e+00 1.036271428370634240e+01 8.775388757836090292e+00 9.733636553719412277e+00 1.144757602668737029e+01 8.711488536038022090e+00 6.521949542603969086e+00 1.009761433278317178e+01 1.071093375169447448e+01 7.893644364244559952e+00 9.219693806769766908e+00 1.270566533802649012e+01 1.290130327450019720e+01 1.335147432802379264e+01 1.236895860567572569e+01 1.485568686759585866e+01 1.432075340308647959e+01 1.068790694474508740e+01 1.203000386249819087e+01 1.475508883549922778e+01 1.309414345491066811e+01 1.052401266509894029e+01 1.391172805939906176e+01 1.566663622048090510e+01 1.450724705643932744e+01 1.603395194266827772e+01 1.332402088085329872e+01 1.468740650820030247e+01 1.832679803280810660e+01 1.812291645578134691e+01 1.691109422378321625e+01 1.715696259695677028e+01 1.801110832081748470e+01 1.516873986442493560e+01 1.273028341469226810e+01 1.471914620628363757e+01 1.425365912584396888e+01 1.034135931821414900e+01 1.068701015628361439e+01 1.363506731282663509e+01 9.404122421654982134e+00 1.273937980681744797e+01 1.498297987015928356e+01 1.326305192799866006e+01 1.611285487378107817e+01 1.684611874526064668e+01 1.937025568139576137e+01 1.820461894914225809e+01 2.219892834314843100e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
69 1.972409520017545148e+01 1.952558667575898710e+01 2.533828949213379289e+01 2.581508191930662477e+01 2.007298253073989969e+01 1.964680035258847468e+01 1.965096524302886394e+01 2.318544448928677681e+01 2.266272895743448146e+01 2.013015291401744733e+01 2.426400124549045856e+01 8.716615121872692384e+00 1.104933761187499108e+01 1.198835084226743852e+01 9.201534773030147107e+00 6.359724913785848699e+00 8.960530608177700529e+00 6.473081231327327600e+00 7.142342823604900026e+00 8.848946022990173077e+00 1.159942141567274199e+01 8.506343196386499272e+00 7.250205756969905657e+00 8.009123258731632333e+00 4.409689460071436251e+00 6.993560243319494774e+00 9.204449506750997045e+00 8.085175879170423130e+00 8.353890258270537217e+00 1.250330162694608838e+01 1.193761410609318574e+01 1.104530884676340641e+01 9.074244568483184281e+00 1.109523094216187999e+01 1.010706899553449745e+01 6.311633196100292942e+00 7.936343286781905704e+00 9.696797424467890281e+00 7.608145328874604374e+00 8.779172036006393398e+00 1.071634932487286562e+01 8.146156669991505339e+00 5.814633629386776192e+00 9.295405711097410872e+00 1.015478044032712468e+01 7.567948981644001094e+00 9.018335939298344428e+00 1.239555664484457864e+01 1.250763215568175646e+01 1.337032565606138057e+01 1.282944843869521101e+01 1.557450739360998071e+01 1.507741456789287149e+01 1.152758367590051591e+01 1.316834862901018610e+01 1.527992825825559642e+01 1.297928586475237012e+01 1.062973814362992186e+01 1.399852408747153021e+01 1.535124406931652885e+01 1.425771253587323351e+01 1.612092514568307067e+01 1.326741285405513082e+01 1.481192905590971165e+01 1.843438327383443109e+01 1.856806017503234330e+01 1.746703784335213072e+01 1.785003326377099597e+01 1.890401876620745014e+01 1.583512765320188542e+01 1.355296888421901080e+01 1.568595542385067176e+01 1.524350782024996676e+01 1.142780946808308151e+01 1.169761971327515226e+01 1.443011849827426296e+01 1.000436756118043569e+01 1.352883930901088583e+01 1.571830192560655703e+01 1.367905509399279040e+01 1.642252150082299167e+01 1.680005630834698493e+01 1.937516111258300100e+01 1.834839122424794056e+01 2.220468385373383313e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
70 1.982418845907182003e+01 1.924183232650972997e+01 2.447479987001038282e+01 2.501559361735592546e+01 1.931897619445609493e+01 1.883798070388618484e+01 1.910148387159700789e+01 2.221555618090578932e+01 2.169189369484017504e+01 1.966828371412259102e+01 2.346389018688968875e+01 7.998071501804616013e+00 1.061595507340882882e+01 1.207031085000627435e+01 9.586472799033574077e+00 6.398107511750987797e+00 8.984604273692472276e+00 6.950180328311021505e+00 6.887064739945444991e+00 9.615897477027834483e+00 1.201884213472445317e+01 9.201986241544799938e+00 7.557848168081096496e+00 7.854402881182760865e+00 4.247672915313292386e+00 6.739262741749850072e+00 8.497027049861928916e+00 6.562323215096387052e+00 7.102286192460945280e+00 1.139739811049156337e+01 1.093551727402628337e+01 9.968264983214876196e+00 8.285505360204785674e+00 1.041622886869743247e+01 9.377197292859026589e+00 5.788870582271452570e+00 7.602498047193921415e+00 1.031025299438572418e+01 8.816130059328472157e+00 9.652182238051617347e+00 1.149438770004341315e+01 9.180483915511574722e+00 6.933609582777356728e+00 1.055132836063455315e+01 1.099203378970772249e+01 8.352107267607252084e+00 1.000468793150325197e+01 1.346668027778338583e+01 1.387062011875172196e+01 1.410120153848170510e+01 1.337004475451970542e+01 1.594450226548234184e+01 1.551404580581693082e+01 1.182125524826395591e+01 1.340683086844250660e+01 1.590510015003209432e+01 1.389353018702990639e+01 1.128025425032294748e+01 1.471171433167940279e+01 1.658124248550948820e+01 1.483764782333309107e+01 1.599199433315448893e+01 1.320750393842765291e+01 1.529203953972751151e+01 1.859661708033644345e+01 1.805720527131127895e+01 1.683319433476957272e+01 1.770434701222403007e+01 1.809774906389993632e+01 1.515489302036447761e+01 1.283826102814206571e+01 1.514732909917747428e+01 1.475489156739215169e+01 1.091804677475560048e+01 1.173933670785588035e+01 1.447272308715978184e+01 1.034955699090120440e+01 1.401358359690818745e+01 1.600496481289400919e+01 1.425947134519735116e+01 1.636256734899879461e+01 1.680502602094952991e+01 1.931975318672503406e+01 1.824893939013485067e+01 2.228901943373859496e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
71 2.001730556314368314e+01 1.919356151815293998e+01 2.492644258312578032e+01 2.586689117098624990e+01 1.992153258338422717e+01 1.999866466709476143e+01 2.010770070626988826e+01 2.339613175191509953e+01 2.251882540013906109e+01 2.048395833203808891e+01 2.400304673542634148e+01 7.964411978351657595e+00 1.116653251785629308e+01 1.237085667182054571e+01 9.654660548192037339e+00 6.560281930192644495e+00 9.086313335026581228e+00 6.831962634070176676e+00 6.971898104664043139e+00 9.083115462151591046e+00 1.200149529014296235e+01 9.032892056820939430e+00 7.839701980486819544e+00 7.621563015764646565e+00 4.242539566147759622e+00 7.237498295198102838e+00 8.897177544703684049e+00 7.186172585934755830e+00 8.001033317764568054e+00 1.178916156193807829e+01 1.096816637973383379e+01 9.960820271407762050e+00 8.603257686495050294e+00 1.109388807365077767e+01 1.004691292039779427e+01 6.265780471164243082e+00 7.934668170069671511e+00 1.030148988625700746e+01 8.788355664372947018e+00 9.825884245784630266e+00 1.145472430006956799e+01 8.918879054305085319e+00 6.550920049603925044e+00 1.011826961640868916e+01 1.062729094738945612e+01 7.899824127879638169e+00 9.426826054935579791e+00 1.284748330912893977e+01 1.317002576274696146e+01 1.336689310121525764e+01 1.254543670518577159e+01 1.515922753653426547e+01 1.449804404683290215e+01 1.072301891913871863e+01 1.264282313634944188e+01 1.490074585951353114e+01 1.291794804902454530e+01 1.054607471604542290e+01 1.390488952003938827e+01 1.549450041947181411e+01 1.403157904780684184e+01 1.553605156577473956e+01 1.278094430341140431e+01 1.474955107074922012e+01 1.818212474174092463e+01 1.831276524166190711e+01 1.673687069586505416e+01 1.744383839639610656e+01 1.812421768238609232e+01 1.480746859438384178e+01 1.280156454613653949e+01 1.494560690942433467e+01 1.480776123441714276e+01 1.089624611524299880e+01 1.115334506596485120e+01 1.411882134795408206e+01 1.010106745522253391e+01 1.346059074679388701e+01 1.535308926148349862e+01 1.380424516557958547e+01 1.651362676118522543e+01 1.722302904674697643e+01 1.975646946809905202e+01 1.804106858841302952e+01 2.247068621597908944e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
72 2.015836522805057740e+01 1.911279733485340060e+01 2.437751935945801662e+01 2.522286301518995444e+01 1.936578804018601474e+01 1.941180628023284882e+01 1.951430952748010839e+01 2.278797497161626140e+01 2.164287451148823038e+01 1.912913201873466917e+01 2.341506758932570875e+01 7.316926936173143936e+00 1.037072591478914774e+01 1.133662703697416418e+01 8.757055016744898168e+00 5.779908310598350418e+00 8.530747095087050980e+00 7.252085750086818550e+00 6.777148680112287771e+00 9.444862131091555923e+00 1.210165721659513771e+01 9.106321270696684067e+00 7.499711795180600937e+00 7.764817886963559346e+00 4.121670181988479342e+00 6.492168568461768707e+00 8.757702838382614985e+00 6.874436086245372834e+00 7.037871744996481382e+00 1.135543704461487025e+01 1.034363541218044702e+01 9.832725776024231479e+00 8.061218078564944989e+00 1.011381440123472153e+01 9.431263179657049633e+00 5.689334077280794766e+00 7.376130388546494387e+00 9.995848494668686968e+00 8.426086194823556141e+00 9.499135560023818314e+00 1.200977175527911101e+01 1.022808085909429465e+01 7.481049324060695227e+00 1.084289921999870288e+01 1.186800695232704683e+01 9.359514320829251943e+00 1.045978069124956278e+01 1.401601202897201226e+01 1.382062402946442958e+01 1.496284510710546023e+01 1.399050831213422619e+01 1.683030822219835088e+01 1.610479815167978401e+01 1.236858808718371705e+01 1.414303207935542517e+01 1.660530823561908775e+01 1.451673868809525025e+01 1.164579127778576151e+01 1.466196434402515258e+01 1.627163323978800236e+01 1.472677335598916848e+01 1.605688699820447951e+01 1.349905944956297255e+01 1.573381901490318313e+01 1.880201966237858713e+01 1.858690325476520400e+01 1.739766352258593685e+01 1.797622959978128065e+01 1.858031173235593769e+01 1.530319621897230498e+01 1.345836578517695514e+01 1.571060682203865078e+01 1.537022703898374942e+01 1.148726389039634554e+01 1.208845718416432113e+01 1.491518204596749086e+01 1.103746242307075853e+01 1.479442327443592120e+01 1.681598401042913338e+01 1.463372802399669226e+01 1.696584946175854469e+01 1.781052851903305623e+01 2.015921482124360864e+01 1.845344699676743971e+01 2.290836789280574592e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
73 1.969883487679546974e+01 1.888151683525131475e+01 2.442819672104172923e+01 2.508391700211903341e+01 1.958695117832535360e+01 1.910141150295667245e+01 1.893610245037648099e+01 2.204694528498061956e+01 2.161167148775477642e+01 1.970282927526279693e+01 2.314189658974584063e+01 8.716770203111847692e+00 1.115749674881488218e+01 1.192100133206132107e+01 9.234894243869719688e+00 6.506341833674293085e+00 9.406667397452395107e+00 6.682363839067087419e+00 6.956388856393155962e+00 8.908168060921518361e+00 1.177986642719742605e+01 9.253744468813637880e+00 7.893277528810110688e+00 7.862908456192966966e+00 4.142702945735226017e+00 6.610535818747134584e+00 8.477293304261811713e+00 6.526977298281757989e+00 7.066960053862138658e+00 1.136769508943386064e+01 1.084583148015956056e+01 1.028505960531596841e+01 8.587182251672608402e+00 1.068658849802620203e+01 9.743848112443243892e+00 5.963175301069045808e+00 7.529040375347849867e+00 9.903262053132641185e+00 8.407309516400758298e+00 9.364055798440263700e+00 1.169753806788406969e+01 9.086564602418858883e+00 6.515720018019925952e+00 1.013682110788578150e+01 1.056402387631245610e+01 7.819774872351786144e+00 9.766187035078299772e+00 1.282248650030439840e+01 1.331960873606735696e+01 1.367082549400044833e+01 1.383014532620175530e+01 1.584354755201968423e+01 1.500048591603279746e+01 1.127900159211722020e+01 1.318117816388606300e+01 1.556956191343137519e+01 1.318221825882097065e+01 1.055187012480272379e+01 1.392057792545440975e+01 1.538889751584436105e+01 1.385969811235978533e+01 1.550520257931695411e+01 1.320166186138375153e+01 1.496238901600408155e+01 1.830142988739569887e+01 1.791726137586698187e+01 1.667725832194171787e+01 1.685292748622515902e+01 1.781922342892468691e+01 1.488679875584488954e+01 1.256548832063064225e+01 1.492313426318676761e+01 1.461168315234029613e+01 1.072889879161703597e+01 1.155252735556575594e+01 1.465658606083664317e+01 1.074570960947624343e+01 1.434029120821290881e+01 1.637325654235309003e+01 1.504882849366509490e+01 1.717003830859756519e+01 1.756717748686594405e+01 1.957753741108871992e+01 1.814005937550516379e+01 2.264541087705393707e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
74 1.966146090098338917e+01 1.875320513666010669e+01 2.529088225545729784e+01 2.540679296255791186e+01 1.934291751408529692e+01 1.873522171640765777e+01 1.883541789805233790e+01 2.219508039557492651e+01 2.182507888636434856e+01 2.023855198893722473e+01 2.360525894782571754e+01 9.037508731442228438e+00 1.149754989055809062e+01 1.249610297190338493e+01 9.815429678444738570e+00 6.989273046203916984e+00 9.604902922275398325e+00 7.162307350377776771e+00 6.672580092497576665e+00 8.829248944631238771e+00 1.171213177647520176e+01 8.576791198227969204e+00 7.396527705006556985e+00 7.447977935166938401e+00 3.991523463973071451e+00 7.030196209932875639e+00 8.793897798273601296e+00 7.091139259167126951e+00 7.622325225858441300e+00 1.136494217844116328e+01 1.094799355160433052e+01 1.021280283589341664e+01 8.597162038911807969e+00 1.085178286401278136e+01 9.484605871768586383e+00 5.736623275891327367e+00 7.600730967204834876e+00 9.774342995147902613e+00 7.602116002951016860e+00 8.978518236885372872e+00 1.146400616859748034e+01 8.990212956835321734e+00 6.701766094309189015e+00 1.019120432927394937e+01 1.087626936017879409e+01 8.137103867085423659e+00 9.922794750177857281e+00 1.325124606708670605e+01 1.381002845415960145e+01 1.406813394447200771e+01 1.307338361624177558e+01 1.554626282005268756e+01 1.527169380998824089e+01 1.156100149195493643e+01 1.312104721108918604e+01 1.563105381218006507e+01 1.356928989897028437e+01 1.101814059301926285e+01 1.431010084150096162e+01 1.552922970054667218e+01 1.391180007714930866e+01 1.552462174266594808e+01 1.313951924525989234e+01 1.467829484575848831e+01 1.810383507059988162e+01 1.798400881117073524e+01 1.641724775991617236e+01 1.705717423317218717e+01 1.776374755885186829e+01 1.476968636977194116e+01 1.264159981876473005e+01 1.502668717451201630e+01 1.455437365089424517e+01 1.066642579632533128e+01 1.114149409210501318e+01 1.382228645906337761e+01 9.626155177602667479e+00 1.336851673052944101e+01 1.521596521127211332e+01 1.350237530579229350e+01 1.631917078171884583e+01 1.687040709110088699e+01 1.962467649255912860e+01 1.831538038256135792e+01 2.257787207430258292e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
75 1.970128605262342347e+01 1.906498227994106998e+01 2.477380446119851243e+01 2.581917196674184822e+01 1.991922050559570678e+01 1.911415091896337870e+01 1.958844324645517432e+01 2.282926309907123397e+01 2.250949351711584967e+01 2.069598317293800704e+01 2.415677277583804639e+01 8.319185394257928579e+00 1.096528830246014685e+01 1.231501627487469896e+01 9.365472420750927895e+00 6.438796165291002183e+00 9.337570123957350532e+00 7.425932933179985262e+00 7.319547398911661062e+00 8.696059253760617835e+00 1.145758452355834933e+01 8.209096350461251745e+00 7.358047746464590588e+00 7.138493907060730059e+00 3.735802864451651661e+00 6.733442718427339102e+00 8.745898459658368651e+00 7.159104430294234156e+00 7.882474132367119246e+00 1.149323397729295770e+01 1.134374138862645331e+01 1.080868351985124143e+01 9.037034459957428822e+00 1.093145128578771086e+01 1.001363188536892324e+01 6.363341430605034432e+00 8.290532879363226471e+00 1.008582280943352671e+01 7.858184233281833464e+00 9.335452298535578564e+00 1.134718953653389306e+01 8.790121687480246138e+00 6.484120138770910202e+00 1.013202282116853858e+01 1.087217403472662092e+01 8.212752126973962064e+00 1.011697338423279469e+01 1.327237763695828221e+01 1.349439400065052652e+01 1.387960605316991725e+01 1.317858910221063518e+01 1.554719921636777258e+01 1.517699746063313704e+01 1.145275212831377587e+01 1.285562283877022338e+01 1.528120590334800788e+01 1.319991391545066683e+01 1.065922468442305160e+01 1.410210646912235788e+01 1.503023881930241679e+01 1.373502032157848696e+01 1.529673891552705101e+01 1.280340380167493386e+01 1.434112005324274186e+01 1.767572221859488124e+01 1.785895223780855545e+01 1.648618153340501635e+01 1.700061469387302537e+01 1.770037970495943114e+01 1.464498012120769666e+01 1.248622519824109744e+01 1.455905991668759469e+01 1.421433019068401649e+01 1.037144689000311004e+01 1.095643970640669629e+01 1.371141598032597919e+01 9.719934487403818935e+00 1.340322359421766052e+01 1.550355056050198854e+01 1.351288460987979789e+01 1.574837498289594961e+01 1.611005838122775558e+01 1.865473055930344159e+01 1.778792926601976276e+01 2.183335626971200583e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
76 2.036367851083015168e+01 1.974765150970121397e+01 2.568092354107465525e+01 2.679868291403884584e+01 2.097947509702193258e+01 2.025212001503383519e+01 1.987662795391940662e+01 2.338410833686711499e+01 2.306879157210125797e+01 2.136043323601813526e+01 2.449651035557102219e+01 8.566270341030456592e+00 1.082255673085514047e+01 1.174272990810714035e+01 8.890842924268890002e+00 6.145836663617518347e+00 9.036090535750295416e+00 6.792860640296253472e+00 6.859102717898093005e+00 8.993256277419906297e+00 1.146259249423150450e+01 8.276675179966707319e+00 7.474047232624028148e+00 7.404309970160126042e+00 4.446552657173866052e+00 7.933897040581748605e+00 9.424158491357793821e+00 7.566475469439927437e+00 8.820684382970432225e+00 1.255252722282011213e+01 1.211173250603189722e+01 1.167557748789241145e+01 9.334619991816284212e+00 1.107059671443405868e+01 9.765169038817607117e+00 5.994116298620787653e+00 7.368541591324213158e+00 9.268965015605495239e+00 7.614847156374034753e+00 8.720733453671106972e+00 1.090275747815794993e+01 8.763576301543530178e+00 6.423410267061660406e+00 1.009285493608105533e+01 1.059731828329887549e+01 8.087871826975289835e+00 9.827389612576174827e+00 1.305620603471350272e+01 1.318626330962518267e+01 1.323210084845323919e+01 1.285200497135522113e+01 1.508506560360310900e+01 1.448316952923671508e+01 1.072459728390916922e+01 1.236152320023963647e+01 1.498883214501167771e+01 1.288779817450996035e+01 1.037501380294035869e+01 1.392388261813781547e+01 1.494090247360740520e+01 1.351090389839955108e+01 1.520093220922920985e+01 1.305212639777857753e+01 1.495725290832810295e+01 1.821322131145746681e+01 1.860792614999944306e+01 1.704845425571258133e+01 1.721249575879371108e+01 1.838072445988750658e+01 1.538781126646945729e+01 1.278476215727379817e+01 1.484264595272824749e+01 1.464386666847282292e+01 1.076993343240316747e+01 1.088852104011642474e+01 1.373840532704760697e+01 9.486298546171159529e+00 1.299657121883429056e+01 1.499345407098459582e+01 1.336046811801466738e+01 1.594907355790028269e+01 1.679568140839000989e+01 1.910421521949328039e+01 1.810376224500268094e+01 2.237432164860877748e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
77 2.026411909938269318e+01 1.979558846454906629e+01 2.581047400075702924e+01 2.652347655764872059e+01 2.042249577117906156e+01 2.008564466027965523e+01 1.937046241477476727e+01 2.260411109587392531e+01 2.274951854226001657e+01 2.089390105006743426e+01 2.417403287070920470e+01 8.591152075003769539e+00 1.091308273535366524e+01 1.182695350817029123e+01 9.315132512495260642e+00 6.331826536077223011e+00 9.042158665710603671e+00 7.279492500750030182e+00 7.073496692448218326e+00 9.274754568645430908e+00 1.174314810317094704e+01 8.764099105666968370e+00 7.537815477052339119e+00 7.715193762185573512e+00 4.288248852994992255e+00 7.178235912520221085e+00 9.142734649446211392e+00 7.619065821782675663e+00 8.320702033624394645e+00 1.236980638547347944e+01 1.155856196527352253e+01 1.089794635928312161e+01 8.820312022920511197e+00 1.088166298532696352e+01 9.605032295227569961e+00 5.953497020733679257e+00 7.892621412192450947e+00 9.877088267824809975e+00 7.781408723305351494e+00 9.002806646790315170e+00 1.112663091058096043e+01 8.737549824499003748e+00 6.600706960615973173e+00 1.025811137101253401e+01 1.075333778378585059e+01 8.378201673480296208e+00 9.984229188946747158e+00 1.328662244231200162e+01 1.355229022046465737e+01 1.355337367100762336e+01 1.284350190464368424e+01 1.510778083998555488e+01 1.459549281408851051e+01 1.086756990905137599e+01 1.238027047275279990e+01 1.481256449201807968e+01 1.254191779089373604e+01 1.006305096232569518e+01 1.350285898232626103e+01 1.467046671945166558e+01 1.360581969881161868e+01 1.549737610697488677e+01 1.317701745982541262e+01 1.439602306576113300e+01 1.780052610276430869e+01 1.810632606995544336e+01 1.692662676497156937e+01 1.745726310196719666e+01 1.865111062933455344e+01 1.562295192768716667e+01 1.313518010674651215e+01 1.505480677079244956e+01 1.456772759354899627e+01 1.079214985629213253e+01 1.082338526302639536e+01 1.363224488635803588e+01 9.300303671184067866e+00 1.264108205466418511e+01 1.471054548645195759e+01 1.342021359886317988e+01 1.610414690295297646e+01 1.710511046960401771e+01 1.923463451605260488e+01 1.782076233783446284e+01 2.252263556300004055e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
78 2.003434412042578217e+01 1.955613728719400868e+01 2.537965928217326450e+01 2.666409317536985668e+01 2.068842452921011699e+01 2.006935446472706275e+01 1.947337638292161444e+01 2.292977992962270406e+01 2.252172068993661114e+01 2.104792821767184918e+01 2.426366848933558629e+01 9.167672403674977488e+00 1.131679270661904013e+01 1.248142141880151357e+01 9.758940519698196425e+00 6.679552177918851363e+00 9.070964250079443403e+00 6.411510807328379968e+00 6.902642631686426000e+00 8.739776575806766701e+00 1.142005304453054571e+01 8.634993416816676870e+00 7.606758573536133383e+00 7.404446115580630483e+00 4.504970113411897792e+00 8.031523406987664870e+00 9.451429483882700211e+00 7.673211841787369814e+00 8.622960328385419260e+00 1.253925053159962388e+01 1.203325277659095072e+01 1.118557498585370702e+01 9.421294695475115333e+00 1.141815912640119812e+01 9.974052238683784211e+00 6.163056470913668150e+00 7.570266965425410000e+00 9.930775030683077986e+00 8.098205409877401451e+00 8.882709729052885805e+00 1.102940622089730738e+01 9.251285123101521179e+00 6.115237328926050431e+00 9.320973068416559926e+00 1.032390006714063446e+01 7.985166714794432075e+00 9.148398799142588800e+00 1.266055999124716536e+01 1.272335801089369056e+01 1.322644400279763843e+01 1.228828130304989585e+01 1.465568268082682657e+01 1.429035055051084413e+01 1.058789920172530152e+01 1.230793363884752978e+01 1.495848382924003772e+01 1.294353562113078482e+01 1.039598172953439814e+01 1.364623752023118897e+01 1.504954690515803151e+01 1.355057808225121008e+01 1.535176969508637512e+01 1.307586312478654378e+01 1.429686790539355812e+01 1.771699103615555160e+01 1.790894546775721352e+01 1.669074314236372558e+01 1.724153819724449832e+01 1.818283624200322635e+01 1.517086148114230326e+01 1.281114897287752008e+01 1.493805848451861884e+01 1.457899799679059605e+01 1.077866683926977842e+01 1.076125709544033349e+01 1.367715864933749437e+01 9.479229378595176669e+00 1.311217026816081166e+01 1.500598373495661342e+01 1.346578850807532746e+01 1.638315904359982156e+01 1.711649928412415278e+01 1.936796827522872277e+01 1.792473045037048252e+01 2.243433440686422742e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
79 2.033057083675560150e+01 1.923237112566772211e+01 2.494344105241321330e+01 2.590739363054020927e+01 2.028132653583292822e+01 1.998338444925058610e+01 1.940077454920687217e+01 2.246386123405072510e+01 2.149894193146371180e+01 2.001137521357170357e+01 2.309367770594237257e+01 8.507756279626493168e+00 1.084562187329662208e+01 1.182868880296227587e+01 9.304477369743716864e+00 6.343866898859661596e+00 9.125640658092073920e+00 6.748172087969386723e+00 6.507197680876247503e+00 9.171949624109574373e+00 1.192388922154420428e+01 9.400458543978780668e+00 7.945027668897319373e+00 8.111509985575244386e+00 4.434080414440487061e+00 7.143641816292053193e+00 9.376794483174927919e+00 7.313066598107546668e+00 7.792659070489088791e+00 1.205452946909195511e+01 1.094387459144493135e+01 1.010517733926761785e+01 8.201031244107889862e+00 1.066112505652825782e+01 9.499635258544817162e+00 5.780698891016395891e+00 7.506234744239962176e+00 9.888769895770566976e+00 8.375551492837265855e+00 8.962296537745181979e+00 1.155987248810954604e+01 9.678142569066030987e+00 6.779687323392014520e+00 9.959974587186058770e+00 1.156461880594268443e+01 9.058925796299853062e+00 9.653097704893266240e+00 1.332445787866229736e+01 1.367784537398090627e+01 1.444939160036750536e+01 1.339914657404654896e+01 1.610824731179485880e+01 1.551113945261784366e+01 1.185451234470382786e+01 1.383551313605771682e+01 1.611442414532430334e+01 1.366928509397569513e+01 1.139574083844202690e+01 1.507391166183570874e+01 1.552667800832842282e+01 1.382654104036264364e+01 1.523711021589208237e+01 1.314370490868648922e+01 1.506166384156171034e+01 1.829414135890540649e+01 1.823878460264444001e+01 1.687859659281647140e+01 1.765779954963019094e+01 1.844145448943323373e+01 1.515270983586238884e+01 1.312669421104793344e+01 1.588781265777646468e+01 1.526880057253322676e+01 1.136772334582423660e+01 1.177756302377672348e+01 1.471615993905677833e+01 1.068220256438335980e+01 1.425632641274040857e+01 1.597816969855991331e+01 1.436475783198893197e+01 1.696527052516088929e+01 1.780995845610395989e+01 1.995340999793982917e+01 1.886784478779739871e+01 2.308282212433377367e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
80 2.092808869517662274e+01 2.060563911920285207e+01 2.545733610132075597e+01 2.653163857122332914e+01 2.116920455719224492e+01 2.126761212389280686e+01 2.013481245608419101e+01 2.324986422472578695e+01 2.239642662870310019e+01 2.013857793792090334e+01 2.322000888140149755e+01 6.372229502694981562e+00 9.113324427434607244e+00 1.042933427951496306e+01 8.116092405138186194e+00 4.792780890093903956e+00 7.423662773008711468e+00 6.113598760905858853e+00 5.557321808045513123e+00 9.201832687899376140e+00 1.155793849810726037e+01 9.379649456291478060e+00 7.180558941879269241e+00 8.946360275311805665e+00 5.259480895441835280e+00 7.475894108107109304e+00 1.015636326960974145e+01 8.670165500737059716e+00 8.045972673239640827e+00 1.284146992407674048e+01 1.213042678424659293e+01 1.094504080886273023e+01 8.223102258395634578e+00 1.075058564877794431e+01 1.032445104549087844e+01 6.648426159829370796e+00 7.428163641200590916e+00 1.033380690208556274e+01 9.195576247753566079e+00 9.294298070413274715e+00 1.213940394504375320e+01 1.054574110381802399e+01 7.343752462507873169e+00 1.042876188489725209e+01 1.206287784680350939e+01 9.446399149789794336e+00 9.634310474025442161e+00 1.343023762599216830e+01 1.435389316207125177e+01 1.539175180193279147e+01 1.495466828076295762e+01 1.747784394710016187e+01 1.701393992421428436e+01 1.345531640928825290e+01 1.525774066115548777e+01 1.773085710612058108e+01 1.534176580267417123e+01 1.355253107267525614e+01 1.721196602844332801e+01 1.778146159709924135e+01 1.585556453728889892e+01 1.747886211439933035e+01 1.536476680616932100e+01 1.727913585105388350e+01 2.053599053631502969e+01 2.012060443408035937e+01 1.894509947196021571e+01 1.989893717192911993e+01 2.058375013101733231e+01 1.728382043143921365e+01 1.563977515849037481e+01 1.795317480599754489e+01 1.725865169394246479e+01 1.335714280972087842e+01 1.372954732730489447e+01 1.609759119356029089e+01 1.186296413636453018e+01 1.548767302024256054e+01 1.716228425866498952e+01 1.455943552528815843e+01 1.732583834987882554e+01 1.805178855249319625e+01 2.060082806101730668e+01 1.968439352597615155e+01 2.404304273343980469e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
81 2.059837639326020664e+01 1.957861862991436652e+01 2.495876747034169796e+01 2.595673619995628201e+01 2.011276758561826838e+01 1.983455482019095939e+01 1.899481671039088226e+01 2.223343735648762021e+01 2.168738191438561103e+01 1.984570361422444762e+01 2.295356920431556702e+01 7.330118696436979775e+00 9.636536686057475265e+00 1.094374662189257386e+01 8.573963024890943529e+00 5.339668376515320780e+00 7.958420855222001045e+00 6.770208235669335828e+00 6.052923546909627639e+00 9.807617567152624005e+00 1.243858429639715624e+01 9.700750040697807108e+00 7.944276805422577858e+00 8.497796211833025026e+00 4.855786439735084947e+00 7.115134985830057879e+00 9.414107189078617210e+00 7.663384097179445575e+00 7.302366291538468168e+00 1.195249373478548982e+01 1.133692251078200819e+01 1.016584671645614080e+01 7.918663035338719958e+00 1.034968252097066710e+01 9.720616518762378533e+00 6.100097277938453466e+00 6.840252033498131823e+00 9.832731365352833208e+00 8.858176776431342603e+00 9.426252869253339384e+00 1.199491804338722112e+01 1.037679000956930686e+01 7.096823327369847334e+00 9.910214953237909796e+00 1.178304390137015289e+01 9.653365862661733132e+00 1.032698907896003249e+01 1.386983327773848451e+01 1.423053885880046643e+01 1.528109930330444932e+01 1.437858115473250464e+01 1.718813045401133266e+01 1.650592026392107314e+01 1.282224194950097385e+01 1.462720166221141405e+01 1.700189553095765049e+01 1.478619057833545192e+01 1.238751368341225501e+01 1.602126463070622364e+01 1.692854001302419320e+01 1.502096460753009666e+01 1.640624249938360180e+01 1.405607180750229368e+01 1.616231406824283923e+01 1.951331656218677679e+01 1.905950401235011782e+01 1.769277430091297632e+01 1.873172563464577323e+01 1.943611386662215779e+01 1.607651976968446306e+01 1.430567712635446398e+01 1.677002036927878947e+01 1.591770828161677187e+01 1.209455967014430833e+01 1.265584458494525677e+01 1.534136204554881466e+01 1.104671446032320503e+01 1.459706926290583340e+01 1.663425785392178469e+01 1.469639315474045027e+01 1.748816621952205708e+01 1.828549620825778632e+01 2.077229757105089902e+01 1.926294967233234701e+01 2.343102927918983625e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
82 2.061214926171719597e+01 1.966461067374973837e+01 2.457629609539196736e+01 2.581562120619068779e+01 2.033743507224615499e+01 2.027583717189610013e+01 1.898146050406264251e+01 2.216312728468095372e+01 2.183069157952902017e+01 1.948966970644396568e+01 2.299915369336658699e+01 6.945320187323202887e+00 9.538807434368894889e+00 1.044044990936736106e+01 8.687828526333953860e+00 5.373351165057387746e+00 7.796950337258633290e+00 6.608945577013320083e+00 6.104936723373952212e+00 9.721416610514687306e+00 1.208039024006929907e+01 9.314806264670620450e+00 7.689734171128871587e+00 8.410833154520810595e+00 4.757081058170867571e+00 7.075338343875285041e+00 9.367404672155007717e+00 7.725607066674429646e+00 7.344966167703701032e+00 1.216301154599685397e+01 1.137169927404992542e+01 9.797845542780281747e+00 7.727818875175270996e+00 1.011851848921985031e+01 1.017782879804253859e+01 6.604529229098339727e+00 7.539914643626908664e+00 1.031026796756898811e+01 8.934523418363209402e+00 9.493466118847218027e+00 1.202082823336739636e+01 1.022945981068440702e+01 7.232681381319922664e+00 1.026043254262776472e+01 1.205466938957392209e+01 9.609861805240694110e+00 1.031421634285408295e+01 1.396458319392064240e+01 1.441376671956190947e+01 1.526096151839970894e+01 1.441646455406364424e+01 1.724079138521495125e+01 1.665593722705854418e+01 1.287375914452442061e+01 1.450505471208002461e+01 1.681528800062114826e+01 1.443398794684090447e+01 1.196936083437148035e+01 1.541829973634448869e+01 1.671909392866340127e+01 1.513691412180804896e+01 1.644962968963391248e+01 1.423834484966399572e+01 1.609222861157917350e+01 1.916182381508900789e+01 1.895068629211393585e+01 1.796472497966850312e+01 1.896092716994869321e+01 1.973916222512901797e+01 1.661052349516624105e+01 1.437580376255088765e+01 1.676777055156488672e+01 1.613087617192162782e+01 1.233554443711470228e+01 1.274685644877073543e+01 1.554798799299263656e+01 1.133260851064450847e+01 1.491214779389570566e+01 1.616269285557740076e+01 1.425045289156295425e+01 1.708961513547999544e+01 1.778712383877802594e+01 2.023648673417690702e+01 1.898433921168415850e+01 2.309435647632746935e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
83 1.978844972920510159e+01 1.998155191058789271e+01 2.487745994402055416e+01 2.604710585931548650e+01 2.080286479562331792e+01 2.074209757037372981e+01 1.960489101077947538e+01 2.274389414779501806e+01 2.170127538193705519e+01 1.981198611928315145e+01 2.279538195708711612e+01 6.966332322270837096e+00 1.000483006655214524e+01 1.090991974026208133e+01 8.653206266695883997e+00 5.502894086309289001e+00 8.104181636563241753e+00 6.545797405919301148e+00 5.908456467737847717e+00 1.027980117312873354e+01 1.258572061098905515e+01 9.640937915742975761e+00 7.871933529523210460e+00 8.444694449874713627e+00 4.633325512119400358e+00 6.698046671478189218e+00 9.170406683102147127e+00 7.580692557405197540e+00 7.042793077871035479e+00 1.198158340773351860e+01 1.130728615287333305e+01 1.010254261130724274e+01 7.600405021940765060e+00 9.802425257117029389e+00 9.652906793714242539e+00 6.001297816431538479e+00 7.014404998244527789e+00 9.988218960234137356e+00 8.948776742398909079e+00 9.576777793699166708e+00 1.214249748413053709e+01 1.026070547360888341e+01 7.187008092623033306e+00 1.039601714125459253e+01 1.207361918430737369e+01 9.592843433248978258e+00 1.014494075117213789e+01 1.378964164466842490e+01 1.424406762317375552e+01 1.530795904186455481e+01 1.500715308046335217e+01 1.738584502285589295e+01 1.695266491915242923e+01 1.334587112239530526e+01 1.528199935632507156e+01 1.767427716377345348e+01 1.527356970981707818e+01 1.289004762198680432e+01 1.642730612925209499e+01 1.737771194007118325e+01 1.584621606345861267e+01 1.702106049243718999e+01 1.485533945973084791e+01 1.659072920369049342e+01 1.977862667672116359e+01 1.987862412753747776e+01 1.857958939966320244e+01 1.930920145121321241e+01 1.956578827191576764e+01 1.607878705959689825e+01 1.457784901856975779e+01 1.680491674226422560e+01 1.592872520023035676e+01 1.219220076000591568e+01 1.274217510941920217e+01 1.553096983827409083e+01 1.129928996653791096e+01 1.480199823386803892e+01 1.653360872380806512e+01 1.492771247244803234e+01 1.782479835340809871e+01 1.800630224046338057e+01 2.061893789983699676e+01 1.902427867400767880e+01 2.303586121408602594e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
84 1.976779903588982634e+01 1.943518113152017435e+01 2.473273580898393931e+01 2.596691173454158985e+01 2.036589680921006718e+01 2.046011978672897058e+01 1.980375018495017514e+01 2.307784231517673845e+01 2.174611848883646203e+01 1.925038024938098502e+01 2.336362272524105776e+01 6.796680261794127986e+00 9.461674193787027676e+00 1.074176210891519112e+01 8.714757457613712788e+00 5.344569911292580855e+00 7.914563706851775571e+00 7.230778842985420951e+00 6.396316264225272441e+00 9.784416432246496598e+00 1.206685122290300072e+01 9.279563319092240192e+00 7.320194830477395165e+00 8.141915123223348871e+00 4.428253804639556535e+00 6.395620259474782188e+00 8.749888887883235711e+00 7.245934332616577045e+00 6.920555429726937824e+00 1.175488434389673564e+01 1.130662479113253305e+01 9.904150225369852123e+00 8.007503321817759812e+00 1.043350505784256654e+01 9.642859689653848321e+00 5.997324212795910547e+00 7.752621230741367775e+00 1.017862097775656416e+01 8.746459303604332547e+00 9.654725724819279264e+00 1.211181692745301852e+01 1.045439667430921915e+01 7.534486927783647481e+00 1.071955159593042595e+01 1.249331750778511108e+01 1.023119631348939507e+01 1.084227960538316715e+01 1.447043818816564453e+01 1.454398589128695463e+01 1.566811176525587967e+01 1.502042220613662948e+01 1.736115002478512892e+01 1.702176995853932695e+01 1.328481890531594978e+01 1.452617832195797121e+01 1.709692724427879540e+01 1.498286369157476372e+01 1.237655055388831826e+01 1.567477385083949493e+01 1.680632829059451083e+01 1.540326364531940584e+01 1.702599811650938122e+01 1.466284462943067446e+01 1.629000792834485267e+01 1.963939458243286040e+01 1.931390084282775632e+01 1.826666663917100664e+01 1.938539471334878428e+01 1.946568124006196143e+01 1.615047553623681864e+01 1.422250600365472728e+01 1.641112502258173578e+01 1.573859900834282932e+01 1.196008274320551834e+01 1.242592750548269720e+01 1.534537204723392989e+01 1.119081533901628944e+01 1.471857116979982649e+01 1.651831643191136223e+01 1.429862683370746623e+01 1.690900099314154303e+01 1.766895826899612487e+01 2.014139152388477072e+01 1.892529133329145452e+01 2.290505267420925506e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
85 1.939577930190038302e+01 1.937161337938296057e+01 2.474458238275808242e+01 2.577353440974469834e+01 2.022544479465314282e+01 2.006924239428331802e+01 1.913157599924745256e+01 2.251560699924054276e+01 2.182019386991711585e+01 1.922981141451593601e+01 2.335053848273786414e+01 6.744541579130176601e+00 9.539456891067068511e+00 1.093592900161223014e+01 8.718845038167641448e+00 5.441432767787253155e+00 7.896955962673290585e+00 6.943057609575040701e+00 6.411637407816080270e+00 9.860621174522906429e+00 1.219700241913340300e+01 9.448675903850585200e+00 7.506137104768860979e+00 7.844651298892149072e+00 4.080999533613420382e+00 5.956486542833786757e+00 8.653462309736848823e+00 7.189819551579428314e+00 6.976799081201396469e+00 1.162510047972362237e+01 1.085847114973275751e+01 9.801261904992822238e+00 7.610605343706989601e+00 9.982508158874042081e+00 9.563605250671239233e+00 6.046270020250323896e+00 7.231127013085702160e+00 1.030142379188106361e+01 9.395728276689903069e+00 1.022125222289444224e+01 1.249831958617991035e+01 1.068507299549570710e+01 7.736678288823949146e+00 1.100441404747135188e+01 1.253258915639871596e+01 1.029502926537989360e+01 1.089642184944407433e+01 1.463392168439450991e+01 1.462808150950139208e+01 1.575415659409248370e+01 1.519038249764437865e+01 1.760244887223604948e+01 1.698231204854583254e+01 1.318413682821795518e+01 1.467873646570332546e+01 1.720434019174729912e+01 1.515932855400252954e+01 1.274292578218873828e+01 1.630419088079689516e+01 1.742336946666575415e+01 1.578764809649176115e+01 1.705975043721634776e+01 1.458198606970818823e+01 1.616267629465294320e+01 1.958823590769426914e+01 1.918264837376808174e+01 1.794739354574641865e+01 1.853840576692743980e+01 1.930892309160914166e+01 1.592025995308576292e+01 1.434930103207422647e+01 1.657186544694111419e+01 1.601992608043672917e+01 1.213008384756688507e+01 1.283785342776888960e+01 1.547882880796252358e+01 1.110572236503862165e+01 1.465432999589301666e+01 1.647725455422109775e+01 1.446558426069563907e+01 1.721190532064902712e+01 1.813530634645170991e+01 2.078065288452716430e+01 1.917425963490712348e+01 2.312028124214366898e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
86 1.976915497754239226e+01 1.956117210587471433e+01 2.446370974695081202e+01 2.572769831572362520e+01 2.066945026848243216e+01 2.034696913352108893e+01 1.929845360900282003e+01 2.248531265963593029e+01 2.184948375079643768e+01 1.955406090630626181e+01 2.333828585209735706e+01 6.893812786052095909e+00 9.537525613475285269e+00 1.092972263870464644e+01 8.473147999612629988e+00 5.210936961151321434e+00 8.059264524201701363e+00 6.707411951937575445e+00 6.416149267988207505e+00 9.368062766434183786e+00 1.189140182028450532e+01 9.307881785976292122e+00 7.445823766622598150e+00 8.588307128847752381e+00 4.864271581017338697e+00 6.831434605356577094e+00 9.321752766312624061e+00 7.512576136448224418e+00 7.137628327520388005e+00 1.187420039246234182e+01 1.087917625750461603e+01 9.977688094423980303e+00 7.828658573384079666e+00 9.804268361241462060e+00 9.886798038862517402e+00 6.323823598626030495e+00 7.055993508126105596e+00 1.011372389636301072e+01 8.834970503794274066e+00 9.396554381593356098e+00 1.181909264680613347e+01 1.003523322302418741e+01 7.159689928044525864e+00 1.045509074118609227e+01 1.188725302199797973e+01 9.576646552914784394e+00 1.021681278653658786e+01 1.390144233756223002e+01 1.405278731148939997e+01 1.518811181079583505e+01 1.484369217785883777e+01 1.717912903356701548e+01 1.634646389910420439e+01 1.267165309347233659e+01 1.445862887756996429e+01 1.712652742495094671e+01 1.487524897483161546e+01 1.284346011317634861e+01 1.653504285997502876e+01 1.721542380289771756e+01 1.526974064589599500e+01 1.692611676630681572e+01 1.470184640001375875e+01 1.626601922902973030e+01 1.970878566964746526e+01 1.918074159863592598e+01 1.793166247440669991e+01 1.889426084963020003e+01 1.967673054814433087e+01 1.636305238931609551e+01 1.454237003431822473e+01 1.689094651396257163e+01 1.606412132894683253e+01 1.219652110603154682e+01 1.277716682572127205e+01 1.556438371740454052e+01 1.112642796918480315e+01 1.471741826234029737e+01 1.629005428380628118e+01 1.412331630446814223e+01 1.687638348715992009e+01 1.796377816563435559e+01 2.054185406578497108e+01 1.907950077432553115e+01 2.269924024141016972e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
87 1.960134356584890369e+01 1.869803768082118012e+01 2.450433040731765999e+01 2.571380255397249215e+01 2.017546786969367290e+01 1.952679711360294590e+01 1.925173085748447122e+01 2.275041857205957641e+01 2.199660343363800408e+01 2.014171781941849559e+01 2.404425039910252337e+01 8.926935847936334767e+00 1.134251276970825018e+01 1.232797292287662394e+01 9.604536932182350384e+00 6.558881466319216536e+00 9.270035359159056298e+00 7.442736718348729852e+00 6.816075847768045648e+00 9.149672144716058497e+00 1.160376328076619323e+01 8.403363720260093928e+00 7.397857577564764142e+00 7.268112902530661223e+00 3.863671411650635878e+00 6.900257498779137855e+00 8.450773479192818627e+00 6.688743926082093338e+00 7.359020372775622931e+00 1.118864682253955500e+01 1.113475984911412198e+01 1.025412972442528492e+01 8.719238722859298463e+00 1.080003420533567038e+01 1.010602601345480700e+01 6.364899185213761079e+00 7.664444209182500245e+00 9.997853091797455960e+00 8.488161472393974449e+00 9.790954411035572846e+00 1.160560127819750065e+01 8.961450125891197160e+00 6.820954994784854897e+00 1.040661342093638631e+01 1.114828224611519580e+01 8.410940105663870625e+00 9.961993356021729085e+00 1.339052128960203092e+01 1.335831254159741732e+01 1.382033629029894328e+01 1.323858782837793768e+01 1.539868533322611732e+01 1.503742779839139132e+01 1.123629504039059235e+01 1.237401470920216973e+01 1.485790896782358317e+01 1.308236438163162596e+01 1.045362329282463598e+01 1.389702481559081093e+01 1.560855740477215114e+01 1.421267055207653485e+01 1.591283516318421576e+01 1.323508962975837910e+01 1.476151362182442028e+01 1.812653835267856905e+01 1.786394259671223139e+01 1.658509865808271755e+01 1.690244488226474218e+01 1.773453972675133983e+01 1.477765795265387894e+01 1.270044567218329767e+01 1.511337862091072637e+01 1.421236191457989584e+01 1.032276282897015385e+01 1.089846219100736135e+01 1.385542221811894770e+01 9.562907253780652539e+00 1.319199384623317250e+01 1.478691477669524978e+01 1.294389105047573096e+01 1.572903830167801864e+01 1.648194885172602042e+01 1.876008033389604890e+01 1.737379472961370652e+01 2.125888968347509334e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
88 1.930068987024213101e+01 1.921965337786098971e+01 2.532124193211165419e+01 2.620647351527691171e+01 2.082546907784603718e+01 2.059595736222770412e+01 1.980024719610599959e+01 2.308633682191984349e+01 2.224168695529753847e+01 2.028608678199366011e+01 2.407779250598815324e+01 8.894770642634345137e+00 1.133440753603896844e+01 1.223781564950637346e+01 9.416414423869907679e+00 6.357239381881576001e+00 9.273578747281744583e+00 6.927803004932548525e+00 6.999081659461001692e+00 9.235810422493015537e+00 1.200170137137042303e+01 8.829442785228561519e+00 7.850306026884160460e+00 7.808401308522634920e+00 4.369319963102960891e+00 7.346348800632103604e+00 9.011943847864888113e+00 7.093117705267778739e+00 7.916439412899545225e+00 1.170608821753736706e+01 1.107285789100285278e+01 1.059460402916108812e+01 8.763643864188839672e+00 1.077493718524749156e+01 9.766606417170017096e+00 6.027010968966632909e+00 7.502586231628634472e+00 1.013996284073050802e+01 8.409452968002540274e+00 9.497287737429626731e+00 1.080777872120865979e+01 8.294354301479289759e+00 5.851119815362375576e+00 9.412673380707051507e+00 1.034541445442004459e+01 7.965935744998802193e+00 9.173910191796514013e+00 1.251434182829564001e+01 1.232826285613705686e+01 1.330272485387342130e+01 1.245972825275004681e+01 1.495908662303592074e+01 1.466504781933550916e+01 1.092609689905895287e+01 1.233748907496017999e+01 1.516701434244328439e+01 1.334612630750354789e+01 1.085165265428461012e+01 1.439973227479014994e+01 1.585683282794930804e+01 1.421361920974382720e+01 1.603609226207296956e+01 1.351561706701835952e+01 1.497641460821878745e+01 1.843445764919733421e+01 1.826650720441566378e+01 1.675379355137884829e+01 1.713351857419699797e+01 1.788484392573154480e+01 1.467303773303816783e+01 1.249461028931441753e+01 1.468747304467737891e+01 1.436204464808180070e+01 1.047530317702047142e+01 1.047878524319973259e+01 1.357054744691023451e+01 9.804118695152249430e+00 1.317191270747045273e+01 1.504528463681633887e+01 1.321897464716570880e+01 1.582401696780719647e+01 1.693801806786033026e+01 1.921651456414165438e+01 1.819988007011328079e+01 2.109968724290531839e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
89 1.924883162838063200e+01 1.902121734848316592e+01 2.461447621552460063e+01 2.593023410849851018e+01 2.007057673638230000e+01 1.991552272154394387e+01 1.889078467516959137e+01 2.215551753114690925e+01 2.196248687091833318e+01 2.026698915645790677e+01 2.389655079346017885e+01 9.135590682926093109e+00 1.119236218291902674e+01 1.244060090624303072e+01 9.561495114359560787e+00 6.542932438177226473e+00 9.543978599304178800e+00 7.283498366848741412e+00 6.835123609956939461e+00 9.576816728636215359e+00 1.205872990526422583e+01 8.840040472119710557e+00 7.519949228508415295e+00 7.341247403712804598e+00 3.860787260189086023e+00 6.741456871261198636e+00 8.481290770697411219e+00 6.495390326264639747e+00 7.152732778879744124e+00 1.119407886158795229e+01 1.075580112752701645e+01 1.032370508613681359e+01 8.460515306559910798e+00 1.055435447556236817e+01 9.990154006478645599e+00 6.241541757731360107e+00 7.767123082951939317e+00 1.010645102093054426e+01 8.366238553873039052e+00 9.465689820954587219e+00 1.148107708471654220e+01 9.237141161015431479e+00 6.470208565890611219e+00 9.962858601560929728e+00 1.096873042897045991e+01 8.276301694247299778e+00 9.495977455249665411e+00 1.283420599311973476e+01 1.294220362596570695e+01 1.402098791883683049e+01 1.341639368776775676e+01 1.557894772235367498e+01 1.516962282451621213e+01 1.135101559699477392e+01 1.248104359188221579e+01 1.518316143556391928e+01 1.307742371870636688e+01 1.111097770584764532e+01 1.466836355499242472e+01 1.598773384462092650e+01 1.427423321697210845e+01 1.589380176297722080e+01 1.365457648427987714e+01 1.517632000101178313e+01 1.859754032270635093e+01 1.820812597486989404e+01 1.690453666240905051e+01 1.741450246174136751e+01 1.779432284951905885e+01 1.439034896600688995e+01 1.291914038271756127e+01 1.525889359527604405e+01 1.458939719877720087e+01 1.077446192319131058e+01 1.114391978698736629e+01 1.395041002363374538e+01 9.642784310157939132e+00 1.318324747351986126e+01 1.526713717814769744e+01 1.372032180342015373e+01 1.628123348449547336e+01 1.700170920195305158e+01 1.932368973612219776e+01 1.802781433367497854e+01 2.136277839845017112e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
90 1.899176316804515352e+01 1.928519957569747234e+01 2.540069635949904026e+01 2.654894882271003809e+01 2.116636883610152964e+01 2.113162517441745436e+01 2.006175737231895084e+01 2.349494995537085629e+01 2.322558276982708136e+01 2.128000527359548855e+01 2.508503372447474078e+01 9.534378288785013922e+00 1.139616252133708230e+01 1.228803643354027919e+01 9.352653324429818227e+00 6.775872167508438793e+00 9.738015006458114797e+00 6.996380146485398299e+00 6.933434633676812453e+00 9.120331881932797202e+00 1.138434619142257986e+01 8.340878267335730456e+00 7.451259580218079215e+00 7.489372380011054098e+00 4.036489557350529722e+00 6.931784209362040095e+00 8.732839105444128336e+00 6.947764205524362247e+00 7.731242430118329345e+00 1.192793163628288688e+01 1.113421655266555810e+01 1.083517979616598836e+01 8.983697817390281060e+00 1.083245304351032701e+01 9.971856641180618652e+00 6.217082199656999819e+00 8.107244735867659813e+00 1.027853488398939064e+01 8.397941319247522074e+00 8.937403806592188360e+00 1.083160697424427887e+01 8.306579501617093797e+00 5.808165239403041191e+00 9.318282924624202934e+00 1.033936441320930477e+01 8.062820245195602809e+00 9.495896561005533698e+00 1.275323904763807725e+01 1.217983038248805805e+01 1.297343122880888622e+01 1.212173029698250382e+01 1.470577688909956393e+01 1.419515439131904344e+01 1.056647591175437206e+01 1.258839941467656232e+01 1.527355403467927886e+01 1.333387757049298195e+01 1.146167324699292145e+01 1.507567932239476249e+01 1.620281660469925100e+01 1.456308914079709638e+01 1.616456398752159629e+01 1.348548022770700783e+01 1.451221725359890335e+01 1.809742730399315391e+01 1.829276621010629711e+01 1.674878434026632945e+01 1.708843746003894992e+01 1.807335692344330980e+01 1.497406667620820819e+01 1.256081833297216299e+01 1.478671255909848448e+01 1.464618706572482587e+01 1.082320011739944121e+01 1.095245139042271454e+01 1.358896439119319410e+01 9.505434416703105072e+00 1.313017196247958651e+01 1.504201192264823206e+01 1.330642948768113065e+01 1.582488280151371107e+01 1.671569233720759939e+01 1.909925253590734684e+01 1.778455820124671050e+01 2.165681297430364438e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
91 1.941140878673738612e+01 1.883942899805186499e+01 2.530172970281289935e+01 2.613616410115935196e+01 2.042464830452039593e+01 2.012102739129060325e+01 1.900317828080985905e+01 2.246956531883465402e+01 2.264009623622789746e+01 2.095854507473244865e+01 2.461703186412362143e+01 8.450186651151273765e+00 1.102450115820979093e+01 1.252689274223727978e+01 9.998084463041502445e+00 6.838015589717140408e+00 9.621299822384660416e+00 7.446996059641404209e+00 7.035051446766088290e+00 9.039992928291447072e+00 1.185064037815094373e+01 8.504760139099280636e+00 7.666363026297972283e+00 6.983886173528753183e+00 3.758572511515669845e+00 7.177544255773746329e+00 8.476914143352557218e+00 6.683078448275094452e+00 7.454965368916112389e+00 1.131354380210846777e+01 1.065769287641258956e+01 1.045423956838654789e+01 8.843864509608701852e+00 1.071817540006511038e+01 9.792419462790883600e+00 6.033314613074687749e+00 7.633822246215854257e+00 9.857426357655485916e+00 8.231311165928985929e+00 9.640121350508968234e+00 1.144523274156322046e+01 8.827284885588808194e+00 6.370157728096523364e+00 1.000020203343086322e+01 1.095349060933251373e+01 8.340099838782839115e+00 1.001517647592740090e+01 1.327056798130061921e+01 1.315427720357078734e+01 1.400185815152996938e+01 1.310256274630445361e+01 1.558091377480948658e+01 1.547274899444632723e+01 1.171786396793808827e+01 1.316524305865686806e+01 1.546417179702429223e+01 1.333716428567455914e+01 1.090499757132691094e+01 1.419384505366448579e+01 1.555967315520169336e+01 1.402147962049976471e+01 1.589124467687106268e+01 1.319637021363800855e+01 1.452036684923268872e+01 1.803654258457433457e+01 1.814295380407001090e+01 1.636635532981743424e+01 1.673769511909514662e+01 1.772864976423679195e+01 1.447155372956614272e+01 1.239621606341440341e+01 1.473986864577579503e+01 1.420141743943665702e+01 1.028018043359791278e+01 1.047250152986229921e+01 1.342178889567427014e+01 9.240668712821342723e+00 1.293657946470707110e+01 1.487290655540902407e+01 1.329633888009665021e+01 1.573538295936466547e+01 1.650156629695198163e+01 1.855930862747721122e+01 1.725415626248610224e+01 2.112904415784426604e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
92 1.947021675934453455e+01 1.940282952573200603e+01 2.530931058538524425e+01 2.629393509669004914e+01 2.038596137394868890e+01 1.945774696771680112e+01 1.885807057979233292e+01 2.249221655511474438e+01 2.273225996597904697e+01 2.056348570524070851e+01 2.469912613054843931e+01 8.697660144631894852e+00 1.160047385989003921e+01 1.268221029416185708e+01 9.892475884379011930e+00 6.912323107191927996e+00 9.907412411498496496e+00 7.663239871382016233e+00 7.386719037363490337e+00 9.509423820195706867e+00 1.165538340420105001e+01 8.257680390891774636e+00 7.515383611230936900e+00 7.170119376319304294e+00 3.797602615036603790e+00 6.814434854222504612e+00 8.339943441239373811e+00 6.564744176718214419e+00 7.473388952053674927e+00 1.133799036368881197e+01 1.059587477506341280e+01 1.026606311715887543e+01 8.678866965275394918e+00 1.084736904145662528e+01 9.977287794368699281e+00 6.304007240333451279e+00 7.716709883122423008e+00 1.031022588517991423e+01 8.700040594983786235e+00 9.693007904962840371e+00 1.139039346352312698e+01 8.869605976148015714e+00 6.523787643235357869e+00 9.996962317000027909e+00 1.074806412488517360e+01 8.098081472877241893e+00 9.991615174009602640e+00 1.306922918300753977e+01 1.265154431068527963e+01 1.339762176844042862e+01 1.214527819299967604e+01 1.470891520878231518e+01 1.421872882759374868e+01 1.052956228247226633e+01 1.187894461220287567e+01 1.471150551976241161e+01 1.307126972544767440e+01 1.081662782044354998e+01 1.407176614707499418e+01 1.580297714875654158e+01 1.411086499087145718e+01 1.575517306537416040e+01 1.323314811219475295e+01 1.442514317507566801e+01 1.796192552867668013e+01 1.796607785038278493e+01 1.652942313140127339e+01 1.666602262950224400e+01 1.745835983621056542e+01 1.438725214199177849e+01 1.211322024566074163e+01 1.419562863835784405e+01 1.389447051129835131e+01 1.012627733432733201e+01 1.057257307561654436e+01 1.342535268153724815e+01 9.839964691842427058e+00 1.338564459393615991e+01 1.512877014090223859e+01 1.329532757058806780e+01 1.568274779962823118e+01 1.638619544598711286e+01 1.855280771959842312e+01 1.714012878644326676e+01 2.092916808456863009e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
93 1.997037165942096948e+01 1.897207940710197960e+01 2.526269509309567951e+01 2.592979085144259699e+01 2.088797047593041611e+01 1.964573551018330022e+01 1.902145988670612553e+01 2.258330131175272371e+01 2.199981242111476831e+01 1.976446021747603510e+01 2.368809519605565228e+01 8.234106509792070483e+00 1.099719273409625764e+01 1.273529399485073554e+01 9.998085287707315416e+00 7.076887269010205372e+00 9.900749200979854336e+00 7.481137137309681329e+00 6.746829248619527597e+00 9.439259655041212227e+00 1.189571796645554969e+01 8.487515834443609464e+00 7.437838684338400341e+00 7.261538559306409901e+00 3.792872497767023621e+00 6.793578414963610257e+00 8.379724937331637591e+00 6.679922282287290791e+00 7.178321805983443049e+00 1.147682582252581973e+01 1.093601975081499589e+01 1.024162845797146915e+01 8.683970746881589875e+00 1.041438086212831848e+01 9.571827403618978991e+00 5.933905088365611036e+00 7.546128268509320058e+00 1.015205953309319753e+01 8.779805067675134467e+00 9.718288294279174622e+00 1.135077849784906334e+01 8.930491171269583361e+00 6.203934045424470689e+00 9.729806531086214960e+00 1.087500205050114843e+01 8.321287691133134601e+00 9.760812537500250130e+00 1.313999120641363305e+01 1.328997004000196114e+01 1.401274514297497120e+01 1.254620919822278324e+01 1.539979461942521688e+01 1.499784023295193514e+01 1.118004368616025701e+01 1.244869712700211117e+01 1.514261557265577629e+01 1.316598287892531616e+01 1.096293857986224474e+01 1.439929337249536445e+01 1.567228837179994727e+01 1.375522096507048886e+01 1.541114610260633100e+01 1.314792596536487856e+01 1.446030141714193640e+01 1.796214957095536846e+01 1.780469966234136692e+01 1.669193985063216346e+01 1.659816089238870518e+01 1.757833089961190609e+01 1.452163563585840045e+01 1.228813969926874883e+01 1.435052252231327152e+01 1.387312957436879302e+01 1.004825717349477010e+01 1.081767105156565378e+01 1.376326494587190830e+01 9.719818686768530114e+00 1.326276732879800946e+01 1.541615845967154108e+01 1.354324085970861091e+01 1.588354719277536375e+01 1.688149313948082408e+01 1.899398702307756537e+01 1.764670820146795904e+01 2.199574489565578972e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
94 1.979264172500104024e+01 1.916588582696568821e+01 2.520007681948283107e+01 2.583274484533288273e+01 2.071260358078313146e+01 1.950663216017043311e+01 1.901893421617787538e+01 2.255113764511292729e+01 2.195951742972485121e+01 2.011028492058912320e+01 2.375254155255741395e+01 8.593424374525129750e+00 1.123101339913264596e+01 1.234066432243331413e+01 9.425551678348728757e+00 6.618176204751841318e+00 9.518789238735077873e+00 7.372115907745870445e+00 7.094153473152803535e+00 9.514442876249919578e+00 1.185010310521454890e+01 8.163515464110250974e+00 7.634433190804226221e+00 7.013040607682195393e+00 3.891938269613990808e+00 7.118790004525032522e+00 8.577528414785344779e+00 6.667494863461604027e+00 7.287796989565035410e+00 1.132897836672982805e+01 1.076615109378336044e+01 1.066084180772633871e+01 9.041836944291194555e+00 1.028441636457600517e+01 9.346718397614857565e+00 5.695338522645488233e+00 7.445087120663370861e+00 1.000947794714633687e+01 8.223019037373159534e+00 9.669163833079332804e+00 1.131036723847028824e+01 8.690248812777106480e+00 6.404622480967876008e+00 9.964786595915379408e+00 1.080523797589165547e+01 8.103331835638126535e+00 9.552970536518067490e+00 1.287313530870304135e+01 1.294915872111566557e+01 1.372754003603649053e+01 1.249628784101401990e+01 1.539854645160833790e+01 1.500786613012045301e+01 1.118116551420439642e+01 1.233881496885701701e+01 1.508413831307781727e+01 1.312223519462143884e+01 1.101723909046208405e+01 1.474840518346673335e+01 1.575059587617550960e+01 1.372460788143683175e+01 1.521849585583291109e+01 1.286381522286441204e+01 1.446510316322294187e+01 1.786102098862779641e+01 1.789181281871734797e+01 1.636145424141668414e+01 1.669025139758705123e+01 1.774440819825341364e+01 1.473091994197305077e+01 1.241000428864666283e+01 1.467947350733907008e+01 1.421046199123351350e+01 1.040029204372660487e+01 1.076002257845417454e+01 1.363412441939677322e+01 9.628093377261821573e+00 1.317654202902343208e+01 1.508792403156440898e+01 1.316081138042758170e+01 1.560137359922943823e+01 1.620042588910947146e+01 1.864800654076216802e+01 1.725954276582278979e+01 2.123771758073171867e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
95 2.002059288080255683e+01 1.897771437014426965e+01 2.479269792524669569e+01 2.586071910802094465e+01 2.042929918000115563e+01 1.963414968637294677e+01 1.889930888964274658e+01 2.237319404255215005e+01 2.186769955561204171e+01 1.976577713253999846e+01 2.309012122052529037e+01 7.802352687710507162e+00 1.019453876179001028e+01 1.177420104813462842e+01 9.251227794388784176e+00 6.159689519154337489e+00 9.039070331984788709e+00 7.897955794317855549e+00 7.235406536435034397e+00 9.519608421411490440e+00 1.193940391666393630e+01 8.814566122595026698e+00 7.565516638490982437e+00 7.800179105158803416e+00 4.066849438329817268e+00 6.437140568949939912e+00 8.366856692463008116e+00 6.529799463181214847e+00 6.886861341353057497e+00 1.130822512788170009e+01 1.048322805646044920e+01 9.829980531731266069e+00 7.950465680642096800e+00 9.384048794981429964e+00 9.291892729112515070e+00 5.766718580001935379e+00 6.944911759575249199e+00 9.908721253086996583e+00 8.428089802448678114e+00 9.618869836810018725e+00 1.177942677612065303e+01 9.739295083704487155e+00 7.032111966432363914e+00 1.053678727956798866e+01 1.170526586267730629e+01 9.242253710830496516e+00 1.088821874591274330e+01 1.402644941919613508e+01 1.390265548597553824e+01 1.442470507967070681e+01 1.319582207850668354e+01 1.592435028687446064e+01 1.556493720286872140e+01 1.199778195035878703e+01 1.344518414967543940e+01 1.605623249359476645e+01 1.421267764300396408e+01 1.187537177387360465e+01 1.523174220370222010e+01 1.632212139029494935e+01 1.424731821856114422e+01 1.548934181055662940e+01 1.308812656819760534e+01 1.473673282857847688e+01 1.818844457087047317e+01 1.815726496064971940e+01 1.656787681679004720e+01 1.731791143600834459e+01 1.864270929574069768e+01 1.530186949721517742e+01 1.300441359884256443e+01 1.557290968620892535e+01 1.513748411608770716e+01 1.125439294293134118e+01 1.159073152512138094e+01 1.455824370988895566e+01 1.061202167217370906e+01 1.419201706078910519e+01 1.596531534310104128e+01 1.411372364004541957e+01 1.647026966851895580e+01 1.696541272949371404e+01 1.928462886219657335e+01 1.818307001530603273e+01 2.201777215016876710e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
96 1.946634767295604007e+01 1.925623474070312469e+01 2.528802210243080495e+01 2.634556387068079886e+01 2.064428877936055784e+01 2.014728584347738760e+01 1.937064335051586283e+01 2.294566384886992694e+01 2.267019265177021836e+01 2.024571654366568652e+01 2.372799042374670719e+01 8.812679220310274175e+00 1.116709127940535851e+01 1.236868438708484419e+01 9.610078287060632718e+00 6.641879058327384122e+00 9.574679655953197255e+00 7.273463191311132725e+00 7.450842033592122604e+00 9.337572389362939873e+00 1.201753490523702439e+01 8.873324873877804109e+00 7.530928099514713203e+00 7.254018406837385413e+00 3.813189756008398490e+00 6.735416898014167764e+00 8.680516495375817598e+00 6.889004100344815917e+00 7.625973064065672880e+00 1.157313620629815354e+01 1.085171380121710705e+01 1.013555523877588982e+01 8.683042808486028719e+00 1.065037559432039238e+01 9.477065981427205799e+00 5.711932415480030834e+00 7.198200713332953526e+00 9.780872521852945312e+00 8.388925078306769478e+00 9.583677164994179876e+00 1.146801811583062758e+01 9.031062747183804973e+00 6.747425616301679696e+00 1.029635526874376517e+01 1.099657637706476265e+01 8.324887605109676514e+00 1.020204602391317472e+01 1.353295884735829624e+01 1.329753491392263065e+01 1.373866295416601169e+01 1.249904759435284518e+01 1.533140763636959036e+01 1.471865148338216400e+01 1.092841557074585346e+01 1.212920913770291520e+01 1.464583288416785223e+01 1.284808778369275828e+01 1.030167518064458854e+01 1.370941951557044547e+01 1.466922802964528927e+01 1.324170249540114597e+01 1.559116605189397298e+01 1.335169330168794133e+01 1.470526920605349197e+01 1.814451504365265322e+01 1.830322498780405382e+01 1.651933042507100780e+01 1.706400655575071923e+01 1.752925845905301472e+01 1.443448161090402415e+01 1.238459984405142222e+01 1.445129767594047898e+01 1.395416669166529999e+01 1.005715791189268415e+01 1.055073706559451452e+01 1.362424657411663453e+01 1.013572414388837295e+01 1.372541476178769493e+01 1.579523403373116430e+01 1.388415406159175802e+01 1.665261327328107654e+01 1.715623678419041553e+01 1.920448910264154918e+01 1.773483457072489600e+01 2.188152356355563199e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
97 1.940224982145178600e+01 1.924656601788258214e+01 2.506103484574521900e+01 2.638757265088919013e+01 2.076211526622553194e+01 1.992755612446099533e+01 1.960710802528570440e+01 2.322367381395029540e+01 2.262916134160441928e+01 2.044025941443187122e+01 2.412220447594856410e+01 8.858675245077389349e+00 1.176617867814028351e+01 1.281126718858651081e+01 9.842689779971991015e+00 7.096573797693939589e+00 9.919295290361738182e+00 7.290898948482226416e+00 7.450338160147433442e+00 9.568560037767989357e+00 1.206933860511862733e+01 8.291511870711055110e+00 7.497377266581785271e+00 7.464180245938111469e+00 4.008354671281630921e+00 7.031454445355127092e+00 8.769214645168252886e+00 6.849655008222242714e+00 7.757281075081448485e+00 1.156373009696169341e+01 1.072137054859141259e+01 1.031547300072772799e+01 8.940815066600512395e+00 1.018327142209509795e+01 9.577583568233714928e+00 5.745380891031112824e+00 7.190181666900180346e+00 9.636581402436318555e+00 8.086779138193204375e+00 9.552224515032891716e+00 1.146385766289632890e+01 8.895220522259275953e+00 6.598844589491001500e+00 1.012426630374774739e+01 1.095160228244584033e+01 8.529369381363869351e+00 1.016535310594785990e+01 1.343813134679911947e+01 1.306227081326253270e+01 1.366704112614030464e+01 1.232986998880947738e+01 1.525628294636927329e+01 1.478625354215006205e+01 1.106749031246080683e+01 1.235585565029426114e+01 1.510113779983528737e+01 1.295670221343456952e+01 1.036554735139567995e+01 1.394270177197841498e+01 1.494788656734711552e+01 1.359104601201903328e+01 1.543161572691426997e+01 1.317665377869662890e+01 1.471813979437361652e+01 1.816793590430000549e+01 1.854053278874371458e+01 1.675986695245696723e+01 1.718993529673007359e+01 1.803452533911115196e+01 1.483772608547756455e+01 1.265295409317956299e+01 1.494429237933011478e+01 1.457611464975297721e+01 1.062346985105182284e+01 1.106873735668278513e+01 1.406494892490071713e+01 9.917798340786934119e+00 1.348851316176355652e+01 1.552892699592242387e+01 1.387233463105327580e+01 1.615956126321484021e+01 1.641600134106078457e+01 1.898848306227269944e+01 1.789834908879710085e+01 2.195134879312329801e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
98 1.884224349104391294e+01 1.882166454887975604e+01 2.410488924249467146e+01 2.561171383303292970e+01 2.025235677107200161e+01 1.964072711981976838e+01 1.961865460219313562e+01 2.290129767360493318e+01 2.258488478187284443e+01 1.980052895655453327e+01 2.369872662658682216e+01 8.253340604211128806e+00 1.140680887054898385e+01 1.256869929588695811e+01 9.561537872656849402e+00 6.733693553417626099e+00 9.764796949199769927e+00 7.408249130326255205e+00 7.241234038207841728e+00 9.108979076273948650e+00 1.173989785338606140e+01 8.602741931856192181e+00 7.316922992593755559e+00 7.610836784797295529e+00 3.910026789384236423e+00 6.367552428406256126e+00 8.420374748044316959e+00 6.879285831769100135e+00 7.249694233072967009e+00 1.130844489908924189e+01 1.045490576217354750e+01 1.000957472953984606e+01 8.308565142726711983e+00 1.052300549164603183e+01 9.358671728432939929e+00 5.673668566153131643e+00 7.174266674792371568e+00 9.782789756521928837e+00 8.275917370530025963e+00 9.793086682964704082e+00 1.169186167682617672e+01 9.426575357048928794e+00 6.966604537310261414e+00 1.049314799530960229e+01 1.139246241303118090e+01 8.715236503946993452e+00 1.057222685241717208e+01 1.372505039549809780e+01 1.348647019084678078e+01 1.439549492047071944e+01 1.271143467495855539e+01 1.566017240765359730e+01 1.549177357466000160e+01 1.167689609664231476e+01 1.296463723659236322e+01 1.543264666007576125e+01 1.324808814286465619e+01 1.046344561807148743e+01 1.384940844706982688e+01 1.506801423095472536e+01 1.371032095406339302e+01 1.528038692774011764e+01 1.290470751469483801e+01 1.432788673163140736e+01 1.768491599040046935e+01 1.780842939679851966e+01 1.628878598227693431e+01 1.680469484716462603e+01 1.754376448257455934e+01 1.449095827926093172e+01 1.221855814438931631e+01 1.426103622683040761e+01 1.400915348644741165e+01 1.020315973905517737e+01 1.083511417960414924e+01 1.365099473992629697e+01 9.925533087117726083e+00 1.364405327183706795e+01 1.564176277580176766e+01 1.360972326666484378e+01 1.624089818367612992e+01 1.658300240897749944e+01 1.888822472122214080e+01 1.729645894616272628e+01 2.157927666280426848e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
99 1.941243159330387869e+01 1.897256606093175435e+01 2.442337084316159590e+01 2.559778360100373007e+01 2.052062159676957620e+01 2.007791317601678927e+01 1.931941850000401573e+01 2.271755138453180933e+01 2.211547632879587866e+01 1.915430882381210509e+01 2.325575481806436073e+01 7.245806607350252726e+00 1.044247197697919916e+01 1.172660696324231111e+01 9.514020115024340640e+00 6.159822122929536015e+00 8.893029291865380159e+00 7.682948990924865384e+00 7.576092969951180756e+00 9.833507706375330670e+00 1.243445965048848478e+01 9.334826509062793320e+00 7.875896698003371554e+00 7.647331751120353793e+00 4.030890966518246188e+00 6.821423190902224931e+00 8.404064581273329892e+00 6.465090799188532245e+00 7.033221676463964123e+00 1.110086019705628502e+01 1.075618301936497900e+01 1.008670654761353092e+01 8.518287716049991687e+00 1.074198208354858330e+01 9.923430089747435900e+00 6.213288189081072943e+00 7.762250535676302299e+00 1.000968145300002909e+01 8.278768838950085751e+00 9.625910933077248544e+00 1.174329753133653753e+01 9.322217485685781568e+00 6.785961917054612158e+00 1.037575926029843387e+01 1.129191478666346882e+01 8.726387114519567945e+00 1.006135882163016504e+01 1.353340497886518001e+01 1.337469461110271851e+01 1.460112889746086573e+01 1.363412361352962598e+01 1.645423350544729146e+01 1.578974935220416320e+01 1.201362562087219210e+01 1.332185642611502630e+01 1.592001416910228251e+01 1.384821473932197655e+01 1.148914944932764470e+01 1.486887194086691366e+01 1.620294466835004243e+01 1.386328734342957603e+01 1.552006589393793234e+01 1.350165528888473965e+01 1.495086198818555623e+01 1.823247793694528696e+01 1.810606380140729854e+01 1.696725000316815724e+01 1.735187243038186722e+01 1.839101414778394528e+01 1.507427484810981255e+01 1.277480884404589112e+01 1.536615249030682584e+01 1.478981295629228221e+01 1.102881861954597831e+01 1.153834709957588522e+01 1.451728157547898768e+01 1.070002920720888717e+01 1.423778356844154835e+01 1.637488502478406005e+01 1.458057546660043435e+01 1.670071172771474011e+01 1.707868383147269498e+01 1.979391043666660366e+01 1.869269708394586260e+01 2.285952901566961515e+01
ad49025ba90d "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
chemteam
parents:
diff changeset
100 1.913180602773681471e+01 1.947335547894652308e+01 2.403300066815681646e+01 2.520796111667072736e+01 1.991819428195451991e+01 1.964839453467184427e+01 1.927805817207731209e+01 2.256258512883509226e+01 2.187461525297580422e+01 1.905894587180676680e+01 2.292327974226773790e+01 7.022603453972715570e+00 1.006529608642074258e+01 1.136673325490242803e+01 9.067104577269795129e+00 5.810424200736039602e+00 8.456352490864837534e+00 7.365921762126300010e+00 6.704482800371225792e+00 9.866923511495938826e+00 1.244677701565730210e+01 9.103088124662033209e+00 7.509738854796510488e+00 7.936158013106684450e+00 4.079751182837484613e+00 6.202811811206992765e+00 8.537049382082065208e+00 7.133737240750793518e+00 6.911485910007645117e+00 1.137768304076179504e+01 1.090658266343758243e+01 9.675205894625781511e+00 7.577415530108483566e+00 9.861162365459097856e+00 9.470684099366346587e+00 6.020404460624011911e+00 7.311118798943327945e+00 1.005642483880056304e+01 8.935391583549398220e+00 1.033362254225043841e+01 1.261585170645211207e+01 1.014089822626895376e+01 7.681624293123610947e+00 1.120871396499185479e+01 1.219573930264476047e+01 9.541338015626710245e+00 1.069145491314902507e+01 1.424200694123507560e+01 1.452503396908893762e+01 1.529769904310415107e+01 1.441949342235586862e+01 1.707228644057947875e+01 1.594808133528277949e+01 1.232661925477145282e+01 1.410824935288447790e+01 1.666079147954627615e+01 1.435538147603210035e+01 1.185488229556696105e+01 1.537571043111898739e+01 1.648086031279317254e+01 1.417569707567801274e+01 1.579070300862357357e+01 1.346361433200842939e+01 1.533669326468766592e+01 1.846300946730547921e+01 1.837653662450801662e+01 1.692634335674314983e+01 1.800433342244008728e+01 1.893190070313598383e+01 1.548010514783031866e+01 1.379554054815237585e+01 1.652789297270402713e+01 1.544977831429465986e+01 1.168220120196561496e+01 1.237385423664135331e+01 1.499757971506999077e+01 1.099323319260176390e+01 1.472658309730352677e+01 1.658745883063986781e+01 1.458018803519301088e+01 1.699789676842617681e+01 1.781143574363156290e+01 1.988520373183719414e+01 1.846851307360875438e+01 2.248594502026295316e+01