annotate test-data/contacts2.dat @ 3:9ca30ad95444 draft default tip

"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
author chemteam
date Fri, 13 Nov 2020 19:37:55 +0000
parents dd195f7a791c
children
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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6 2.303816006631171831e+01 1.960595585651915229e+01 2.891924673463650564e+01 3.019760505315312216e+01 2.513615501066888669e+01 2.336830462591909807e+01 2.584662690528006479e+01 2.834636647487753081e+01 2.943006365550110459e+01 2.916850471843087078e+01 3.235813397698991167e+01 2.697530487202529415e+01 3.103685751726465369e+01 3.188457363504870656e+01 2.873073672477052654e+01 2.631686680054059835e+01 2.842759119747862684e+01 2.378668783608888049e+01 2.452838718332104406e+01 2.152707942470845026e+01 2.196295513425142687e+01 1.747700473345193117e+01 2.057837197130207940e+01 1.621621365469661669e+01 1.873849756881116946e+01 2.078729557283344320e+01 1.786828138774859198e+01 1.723000986013482461e+01 2.098300001835225359e+01 1.926360817250176538e+01 2.069576444239429946e+01 2.348141930998534832e+01 2.462129659900128686e+01 2.510894346943046429e+01 2.150840110917314263e+01 1.994925812184756708e+01 2.270064798547037199e+01 2.117813974313387959e+01 1.838110899829139555e+01 2.128948719738767892e+01 1.957191578853306169e+01 1.647822753607883328e+01 1.939606878652513444e+01 2.121029601564047340e+01 1.848370998345779981e+01 1.846881653259781686e+01 2.235919296595413641e+01 2.243821810662577576e+01 1.984914015663798637e+01 1.759856369621677530e+01 1.436325214377501958e+01 1.189829179900387679e+01 1.398769973493798169e+01 1.328695408130160871e+01 9.330975651247619851e+00 9.426242297322231067e+00 1.217960439630102876e+01 1.120163435183783562e+01 8.191743508885178215e+00 1.131414105282120985e+01 1.329952350258824367e+01 1.528836217883874049e+01 1.374635185709426821e+01 1.016841096170838732e+01 1.261402148683584201e+01 1.458611428112185671e+01 1.243766081306797666e+01 8.766026267870728361e+00 8.555234250903849258e+00 1.061260358706613438e+01 8.829699460256781762e+00 5.328430802742522232e+00 8.094841862590570258e+00 1.034089954419123103e+01 8.012063380091676734e+00 7.589993641208295116e+00 1.212122593340450649e+01 1.098549554128395656e+01 1.326368721561397379e+01 1.590251138120466301e+01 1.623027730934605017e+01 1.618475429840380642e+01 1.411367857015109806e+01 1.185992586335408738e+01 1.801129034109573368e+01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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diff changeset
12 2.310635680539211023e+01 1.961303802857472078e+01 2.917987658630227088e+01 3.048102561804452648e+01 2.572674744233942334e+01 2.416700863156322399e+01 2.631888114077091601e+01 2.867742230099835865e+01 3.045372259219155708e+01 2.931391907629386395e+01 3.379767796316296824e+01 2.753050443207563447e+01 3.112820479834176624e+01 3.178501583867148028e+01 2.841043636715868814e+01 2.635627182799166590e+01 2.860146571073190103e+01 2.391104138160057957e+01 2.462418827548101063e+01 2.164588954485363814e+01 2.190849894146439070e+01 1.728195181056224428e+01 2.030036492971922613e+01 1.554443758192568836e+01 1.762434827918764313e+01 2.017595687172540053e+01 1.761283732903676835e+01 1.724313939301903886e+01 2.110108795674281978e+01 1.967690482755490322e+01 2.150746412051258005e+01 2.418313506211865160e+01 2.441967226608160502e+01 2.579299395385218219e+01 2.273644734216496843e+01 2.036191401834078363e+01 2.267843088028454090e+01 2.133717080380708353e+01 1.854763412637334952e+01 2.126793904390841661e+01 1.948215033115819850e+01 1.679569874354460879e+01 1.988471386764911131e+01 2.174611019046047033e+01 1.883088163333180631e+01 1.859752032474588290e+01 2.235735559955796248e+01 2.236766414867438968e+01 1.982855423724235422e+01 1.781602853854700186e+01 1.441531974337897104e+01 1.219582175113029621e+01 1.425819731218255093e+01 1.381380671448929398e+01 9.947246874978361575e+00 9.868438789840819680e+00 1.279797710619295259e+01 1.142733552912973849e+01 8.763475315200926374e+00 1.215839759430456546e+01 1.357734971967597026e+01 1.530374265951639501e+01 1.383663414751547549e+01 1.037558828106482700e+01 1.270930122929442163e+01 1.486584619851697298e+01 1.246703260788729928e+01 9.038673110311661318e+00 8.593276055182142770e+00 1.044814134408132489e+01 8.918393549869948700e+00 5.395104762417987310e+00 8.178133376585938308e+00 1.015768031279220374e+01 7.923865227479721440e+00 7.285518674164789488e+00 1.218933975895278365e+01 1.099133262135192624e+01 1.268784405643070201e+01 1.547661161575496180e+01 1.576143789307382370e+01 1.581810484736240952e+01 1.368839394342127314e+01 1.121308209820861990e+01 1.729596411176265747e+01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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diff changeset
13 2.236246918207714174e+01 1.913381443726771636e+01 2.853464479460228631e+01 2.984189291112873477e+01 2.576015600243841064e+01 2.412022583572324308e+01 2.628861573951028063e+01 2.888831789005203632e+01 3.031908473733390252e+01 2.914196939485607984e+01 3.314440644307257600e+01 2.741919136785747568e+01 3.114398505770900627e+01 3.169053680834523945e+01 2.859873439924459859e+01 2.628580408789655465e+01 2.859532360367816040e+01 2.420161412776883125e+01 2.436138473576242802e+01 2.171793328693241065e+01 2.183685844778639051e+01 1.721068005992612271e+01 2.012930602486381559e+01 1.558394337897992799e+01 1.796800376352793904e+01 2.021931854672749651e+01 1.730645616237321249e+01 1.708529046835063880e+01 2.096960914849915625e+01 1.922999564409907691e+01 2.128331601730524980e+01 2.379511353523746564e+01 2.440828609598785093e+01 2.552477744715208274e+01 2.194600797183849394e+01 2.037415307651445318e+01 2.328595351824621318e+01 2.262770936023481028e+01 1.950255828651408763e+01 2.214665606532353692e+01 2.008139874934560964e+01 1.721604763195152543e+01 2.013285004426045077e+01 2.197346690288978621e+01 1.910341010029528519e+01 1.857872665288736158e+01 2.244534010151731707e+01 2.238655683592764589e+01 1.996872036258834626e+01 1.775773573457009036e+01 1.461087765454991327e+01 1.222912514799508088e+01 1.454346410289975289e+01 1.423756241719116034e+01 1.038642374643426436e+01 1.064529477600587271e+01 1.354503735804726716e+01 1.224192960855935297e+01 9.681420562868391144e+00 1.305048570559100263e+01 1.462761795906043005e+01 1.601196973842438709e+01 1.416303544846158857e+01 1.059304853300177562e+01 1.268122383879630988e+01 1.497795442228641427e+01 1.264807137761318856e+01 9.211292781099404081e+00 8.422669217490932780e+00 1.012230782342330571e+01 8.999491413091750047e+00 5.278922168493794587e+00 7.811966547824828133e+00 1.019137862872072553e+01 8.335564050189814722e+00 7.370126311969752209e+00 1.229851029715059774e+01 1.133120934981029215e+01 1.293826761604746167e+01 1.571880716162490899e+01 1.573583274776291319e+01 1.586770405479544976e+01 1.367698696468946551e+01 1.078926020631190141e+01 1.636254624989063089e+01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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20 2.235931116573259558e+01 1.838689918969503623e+01 2.809531442015241254e+01 2.991707997497589133e+01 2.554003820953008130e+01 2.361043210855090990e+01 2.639451026627741470e+01 2.881623578791338502e+01 2.992275619265288711e+01 2.895342238546413682e+01 3.267192102594619740e+01 2.726658335445599946e+01 3.130590533615651694e+01 3.211584665222368074e+01 2.881719435805537444e+01 2.655779480162876283e+01 2.889256563582697268e+01 2.438845115366414618e+01 2.443342619496251800e+01 2.173726848501806330e+01 2.182395503155582261e+01 1.726995255827098674e+01 2.022341268233932254e+01 1.568495656170273733e+01 1.788134299994729304e+01 2.006489225484395078e+01 1.720559384609272868e+01 1.688610893692448656e+01 2.079669762095242547e+01 1.957048766282593277e+01 2.126939787778808721e+01 2.389873983111474942e+01 2.497241077538495446e+01 2.594363596050623499e+01 2.247803114530221791e+01 2.090099208080139448e+01 2.402783255765700332e+01 2.283605907900534504e+01 1.972895679404533453e+01 2.212269610657250851e+01 2.033922159504488292e+01 1.750076595554725500e+01 2.052654135417294867e+01 2.206434735063286467e+01 1.910764518756628050e+01 1.898177351868588758e+01 2.277933090588602738e+01 2.284398683842746891e+01 2.028207167049573556e+01 1.806008832080294013e+01 1.488167742341752131e+01 1.280172678216223936e+01 1.485063918814057082e+01 1.442217317869754289e+01 1.067675379287761928e+01 1.056886464410397153e+01 1.355310264865212488e+01 1.238121989210798723e+01 1.001146604663510686e+01 1.344073536369873700e+01 1.496734074021795813e+01 1.627809149822799739e+01 1.455823585533820008e+01 1.100262419188905660e+01 1.282829054931839075e+01 1.478657958538520667e+01 1.221333291205103144e+01 8.466330961485782680e+00 7.755932887218827787e+00 9.898622058632815524e+00 8.895624061218526890e+00 5.239685550620012400e+00 7.775610148877332151e+00 1.040518429834814818e+01 8.603757530839750700e+00 7.533140658409984702e+00 1.245121578077097091e+01 1.126072256628876822e+01 1.331461789968203391e+01 1.596019685551121547e+01 1.570999138552159913e+01 1.534668575603355833e+01 1.277721007765643435e+01 1.058366685485855996e+01 1.639759741382004776e+01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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diff changeset
27 2.265561115195002984e+01 1.941399981953078679e+01 2.883933926293105188e+01 3.005003442859287333e+01 2.530097583226579161e+01 2.319944057512891078e+01 2.595028084996670614e+01 2.839805019735815961e+01 2.939647584934482794e+01 2.856116569042443487e+01 3.174587327523840941e+01 2.777306820019688516e+01 3.166204363373014274e+01 3.279118929982862340e+01 2.978942730957318474e+01 2.709649950915808247e+01 2.890305752969561226e+01 2.448720223384237471e+01 2.467177178461498244e+01 2.184205948562123112e+01 2.233517790642569523e+01 1.757141121665983263e+01 2.054938825122571799e+01 1.611748837799707346e+01 1.855048493489330497e+01 2.056362606595473608e+01 1.777074149809032733e+01 1.713565820356269498e+01 2.097195967017391993e+01 1.945498024363379130e+01 2.070673988870563420e+01 2.368466846100454859e+01 2.449629677376006498e+01 2.535882640654531883e+01 2.220763410248217795e+01 2.016015932187163884e+01 2.298698139568974952e+01 2.248128292729005651e+01 1.941696660120657114e+01 2.192103387827764749e+01 1.996077975822823802e+01 1.730008961339195039e+01 2.030039802333749321e+01 2.176875701575717770e+01 1.882986123737844153e+01 1.852373974422303604e+01 2.229316172124996953e+01 2.235530570791738114e+01 2.001043196958887904e+01 1.776454158768566671e+01 1.448917002798009079e+01 1.241650033934489628e+01 1.445629350654597900e+01 1.380145555871975382e+01 9.983600406040379127e+00 1.003483484238018697e+01 1.305667308980913788e+01 1.168166711296881566e+01 9.385005159326691881e+00 1.300966954022630340e+01 1.397098394517962916e+01 1.565411473404560816e+01 1.368264480818729822e+01 1.027556738969119010e+01 1.237997163435200498e+01 1.441808836097159841e+01 1.226823480642299202e+01 8.522291349994873144e+00 8.742396867048325859e+00 1.051766526807981528e+01 9.045225356512718307e+00 5.507257200409063636e+00 8.241436188323042700e+00 1.035723560418633227e+01 8.344040916612057046e+00 7.981273729300899511e+00 1.278436705477185065e+01 1.148983942157828153e+01 1.329888698453196305e+01 1.599823921064924725e+01 1.616450447709583926e+01 1.564316449241917795e+01 1.364714958003045808e+01 1.084606193698812504e+01 1.676573436681405482e+01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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diff changeset
34 2.306165912311117339e+01 2.038283505277335550e+01 2.996484190915443335e+01 3.120075139046931412e+01 2.630775162629160846e+01 2.380751200276592527e+01 2.633725898256061626e+01 2.914576773168041868e+01 2.989271471843622408e+01 2.872065141345996153e+01 3.195800927661868229e+01 2.760898944464402405e+01 3.135038600395632002e+01 3.187384725413952324e+01 2.854582628065988104e+01 2.637972615877615823e+01 2.875788941555770606e+01 2.424887911649488004e+01 2.495537558502097397e+01 2.200948352399561614e+01 2.218239446226776224e+01 1.767074971442719544e+01 2.076605557602007934e+01 1.646201798098961788e+01 1.856311858084450961e+01 2.107737519300997775e+01 1.871351873556525192e+01 1.783955203603718687e+01 2.166662590916067188e+01 2.004760009677866250e+01 2.140120397910047956e+01 2.434156991815807203e+01 2.490935599613165152e+01 2.545077972693607649e+01 2.199370912936577227e+01 2.022857096475462768e+01 2.277897468313040008e+01 2.134537189314281491e+01 1.818674796028743046e+01 2.077822264640649763e+01 1.901611123572058304e+01 1.653266290055749010e+01 1.971990081712530696e+01 2.137349611628893342e+01 1.840877031454511936e+01 1.845567635118041494e+01 2.222343016062346521e+01 2.177002440365786384e+01 1.950784708617997509e+01 1.688237253534984461e+01 1.385288866869437996e+01 1.124610104839271152e+01 1.340038259997259296e+01 1.301852706048868669e+01 9.237932455647413832e+00 9.054275518328704919e+00 1.202956950307708439e+01 1.128652084394587973e+01 8.910239583243924955e+00 1.239250185140182658e+01 1.381348890826046905e+01 1.547861608858548443e+01 1.419493876135138954e+01 1.053151184078917524e+01 1.254618063750166002e+01 1.502938061352302590e+01 1.311662064512172243e+01 9.487731632948555927e+00 9.855893219419735729e+00 1.178135739070091859e+01 9.820323887810193497e+00 6.474403068667568206e+00 9.289165538065720540e+00 1.105573758096818615e+01 8.586316423880697712e+00 8.151677471983948209e+00 1.241126251654475432e+01 1.105294816842360639e+01 1.282455792643429682e+01 1.601809425020549327e+01 1.651413687971858479e+01 1.643017297332135840e+01 1.398422064554392996e+01 1.173869254803021356e+01 1.710606038928551342e+01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
40 2.265107840329480737e+01 2.065577765318784031e+01 3.011767834501712926e+01 3.111379181470075750e+01 2.598501103103571452e+01 2.387077719671244580e+01 2.662060501287488279e+01 2.955282669021775277e+01 2.989098202558130168e+01 2.996263504142507017e+01 3.283476059084389220e+01 2.796587705045057604e+01 3.165969058596179408e+01 3.204568614174019103e+01 2.909275330934452697e+01 2.653689221802398279e+01 2.850629930463970041e+01 2.392548842756447058e+01 2.426059804842629930e+01 2.158482816096661594e+01 2.203866755683144518e+01 1.759904040365395517e+01 2.068234560875732697e+01 1.633862644014234533e+01 1.855137902257524374e+01 2.091301921299909949e+01 1.830857801527787387e+01 1.745688764325123188e+01 2.127106011874509406e+01 1.972930118199506921e+01 2.119438800601473716e+01 2.400178592801567135e+01 2.497702414164466944e+01 2.612862166651517981e+01 2.270833852406481412e+01 2.087681280023358354e+01 2.354994723429062731e+01 2.220210262804582513e+01 1.903434431985514053e+01 2.158796680780049115e+01 1.970402861850203990e+01 1.692396399098754856e+01 1.994346098536431100e+01 2.158666360892978631e+01 1.863144560380253978e+01 1.896649587109391533e+01 2.274431254694248494e+01 2.227358791342465594e+01 1.988693045985234065e+01 1.744480934987686993e+01 1.425180377058992853e+01 1.175613477095178894e+01 1.413523838245377462e+01 1.409096879371258026e+01 1.023059364297669127e+01 1.012191247409303507e+01 1.317795224263482368e+01 1.185081023017808910e+01 9.027318884522072651e+00 1.257069762607967611e+01 1.390203318095787210e+01 1.538586236929517526e+01 1.411667692728900292e+01 1.041832603768424192e+01 1.250893535152217240e+01 1.513813985452387634e+01 1.311015793221651826e+01 9.358785600915867420e+00 8.583297316709707303e+00 1.087846453812878700e+01 9.355411815155282085e+00 5.966570975817087508e+00 8.862112526794671652e+00 1.099933254655686632e+01 8.741705846421799819e+00 7.839989379332203079e+00 1.265182132677547777e+01 1.119462947776596629e+01 1.290889539693403698e+01 1.559955097570929716e+01 1.566524068522097046e+01 1.579111959829645961e+01 1.383828397520702680e+01 1.150167619127819130e+01 1.688190357106700645e+01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
41 2.277403530500008699e+01 2.066272286235132327e+01 3.001735157728495906e+01 3.071775725198116902e+01 2.609073272066572358e+01 2.411739246742898857e+01 2.710443677293477549e+01 2.962684700755486489e+01 3.006786131830814313e+01 2.994456038209191107e+01 3.299487787736571676e+01 2.802526198708400429e+01 3.195058026835853937e+01 3.203245352699595117e+01 2.917366922564244547e+01 2.676048807115822470e+01 2.854557978905203797e+01 2.362087694866882970e+01 2.404656936320557392e+01 2.156856384448176200e+01 2.208298246015806754e+01 1.761367811407505002e+01 2.091375819813951864e+01 1.647667283791978932e+01 1.876632071567954796e+01 2.120419916671354343e+01 1.861885644137590745e+01 1.759596482230730885e+01 2.139736866343140775e+01 1.985968235672373083e+01 2.106374493573468243e+01 2.382039336020979547e+01 2.453744740276093594e+01 2.572970641997481067e+01 2.241770998823590944e+01 2.028774040294407044e+01 2.309417309796170414e+01 2.226238298075664801e+01 1.902188116009504171e+01 2.169565790586549880e+01 1.988429768460411751e+01 1.689241784171834482e+01 1.965494662676556814e+01 2.169761535820788012e+01 1.881624339533786383e+01 1.888925786891848091e+01 2.277693743658653602e+01 2.270792105676137851e+01 2.010405395517160798e+01 1.782176211785914077e+01 1.450092162384483885e+01 1.198565675570191935e+01 1.430730688602554501e+01 1.389734020775621914e+01 1.012078815031041046e+01 1.040878788574403124e+01 1.329997290082196137e+01 1.181590779398056590e+01 9.391115942643653014e+00 1.293275205031332220e+01 1.427711158473050901e+01 1.583456116794538104e+01 1.433239527662922619e+01 1.057376941626681877e+01 1.285494381057971580e+01 1.505701143080571924e+01 1.285299163006702727e+01 9.238400179186525563e+00 8.610768894329712708e+00 1.093947043467438007e+01 9.510761542009550595e+00 6.202370147802005462e+00 8.860562083381214649e+00 1.065443474155601322e+01 8.289870483468629203e+00 7.475708723987952276e+00 1.242828144758557229e+01 1.095428128527785461e+01 1.282269448272494472e+01 1.556139215924647168e+01 1.579595364330670471e+01 1.584709649591364133e+01 1.377723744825748931e+01 1.119902981191483704e+01 1.684729856570790929e+01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
47 2.325225550215170145e+01 1.977976883079384862e+01 2.971891208828131425e+01 3.037440267928604953e+01 2.571020862522583883e+01 2.435375450329816971e+01 2.768736650292018808e+01 2.977277659382973951e+01 2.994272226589387031e+01 2.966718995163856931e+01 3.307755931790345016e+01 2.818848619087507856e+01 3.204779546795481338e+01 3.269575886215462646e+01 2.983740055418015658e+01 2.716690575301877786e+01 2.898992007952733729e+01 2.452086185738763646e+01 2.424048935068582367e+01 2.161552451678310760e+01 2.216004675724447281e+01 1.763958891078438640e+01 2.075944566919698175e+01 1.628167378553832023e+01 1.840689536826138450e+01 2.068571265091967959e+01 1.798432603390284967e+01 1.733685725589405280e+01 2.109002831112031728e+01 1.943385813519753214e+01 2.083098032517725784e+01 2.362321659670245921e+01 2.452301519178500300e+01 2.551520574151668797e+01 2.241427656837290527e+01 2.012456663788606193e+01 2.278324816470120240e+01 2.209622848696658437e+01 1.917826089022043945e+01 2.184335891517244832e+01 1.978150779439851803e+01 1.730960619424606151e+01 2.063453601699351481e+01 2.231119213660546308e+01 1.948447610018703813e+01 1.938235439922953063e+01 2.328782880025407565e+01 2.291921402290567755e+01 2.055005019981638270e+01 1.804222571400627118e+01 1.505265732998458184e+01 1.265102537230190904e+01 1.448023418164604514e+01 1.427499634789677430e+01 1.057676183591064145e+01 1.023972577352877344e+01 1.325120681759433339e+01 1.207323624028937736e+01 9.330309079334760725e+00 1.280165409744618366e+01 1.392524839486611299e+01 1.542230386791066898e+01 1.392331623183228650e+01 1.030149891614185620e+01 1.201365893639316873e+01 1.420727644672827594e+01 1.252847980687201890e+01 8.875952572035179955e+00 8.165430758289604185e+00 1.061401584572934986e+01 9.078754146537765024e+00 5.789511355167085149e+00 8.567598918256198459e+00 1.079326054264013734e+01 8.966394372202344698e+00 8.237440767026335209e+00 1.282401737011978149e+01 1.164557405636460707e+01 1.353732845367339266e+01 1.572193102825154298e+01 1.566968407013964537e+01 1.592309962055836792e+01 1.391171037244157915e+01 1.159314484358024444e+01 1.712155342448647488e+01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
48 2.183679515824357864e+01 2.004411006855203681e+01 2.952648412314916726e+01 3.117417863299110437e+01 2.669016901350137871e+01 2.477210154059640246e+01 2.814963579791571036e+01 3.049570321058916278e+01 3.092069172101791708e+01 2.978410629607191851e+01 3.361100616325654045e+01 2.801037933196584007e+01 3.207857225155340331e+01 3.279389938601652688e+01 3.002662409930739784e+01 2.727467231390356872e+01 2.905887858126166989e+01 2.438005594720556601e+01 2.457638835734099203e+01 2.138718092662423231e+01 2.179430036923590563e+01 1.725308756079399330e+01 2.031776245805500736e+01 1.571445744844740489e+01 1.828750812936026193e+01 2.057093833197943056e+01 1.785480402300770564e+01 1.743320088426592918e+01 2.134987796993774367e+01 1.985366619001040078e+01 2.133246432468813936e+01 2.411548322920048193e+01 2.499780454943688568e+01 2.629424036568773460e+01 2.361301884104872428e+01 2.117337239104105606e+01 2.392935072068758373e+01 2.358598318586495779e+01 2.048992669256201893e+01 2.272787123115242736e+01 2.053321003104851172e+01 1.753419994699626017e+01 2.040440345331914784e+01 2.198306903291740610e+01 1.913825038768949227e+01 1.878994620736359167e+01 2.273277774215424074e+01 2.251553893051580246e+01 1.996012783726080997e+01 1.745816942976091468e+01 1.426261065135854444e+01 1.196390602398515135e+01 1.449247228032889900e+01 1.428465843206846841e+01 1.049574434684830671e+01 1.118089273716470800e+01 1.413146573590598187e+01 1.275113316671857255e+01 1.051964627270378649e+01 1.415129873360922375e+01 1.520229404373477600e+01 1.663688829884194220e+01 1.494972557745394859e+01 1.153006208967974011e+01 1.306592764708276988e+01 1.522702062243339505e+01 1.269634968842757772e+01 9.211377592419903948e+00 8.588282674864363031e+00 1.069168184052864667e+01 9.572623810805358957e+00 5.918413915820704752e+00 8.327317520943182672e+00 1.053426631942772929e+01 8.613894483773060884e+00 7.477872069380362419e+00 1.252522115447618134e+01 1.109881614056993726e+01 1.238582391946914818e+01 1.516748567377285006e+01 1.478182305748596370e+01 1.475329397979269075e+01 1.253890259299312682e+01 1.035923216745438147e+01 1.573189044266135461e+01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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diff changeset
55 2.361445369562156671e+01 1.977262778295185797e+01 2.931057719329683664e+01 3.019608399019763567e+01 2.550723688768808017e+01 2.386506325987848953e+01 2.713121138007257116e+01 2.964293429716491701e+01 2.983488286843481774e+01 2.925396381299773552e+01 3.219779548108003553e+01 2.836067105653010856e+01 3.183015009989398436e+01 3.206499098895799449e+01 2.901023693596814823e+01 2.662340667393896609e+01 2.878513166101479825e+01 2.414752318146896215e+01 2.467910631370255459e+01 2.182364338353881195e+01 2.263173298944481004e+01 1.796840814952397380e+01 2.061763751367149666e+01 1.595810457644910052e+01 1.835057411283915485e+01 2.071332978849121176e+01 1.792697974997845378e+01 1.745808928280552408e+01 2.136720575444527981e+01 2.009666511847395753e+01 2.135510006340445344e+01 2.421911629615800976e+01 2.476212455303924997e+01 2.561355564156365716e+01 2.255688783737418746e+01 2.040586278801144715e+01 2.287418739215739905e+01 2.194371303763973557e+01 1.891381976717095625e+01 2.174359333171606323e+01 1.986278815687960630e+01 1.730588235108544382e+01 2.036398921891072078e+01 2.210463480983343842e+01 1.925091272360574024e+01 1.926675293613173778e+01 2.311180452705662347e+01 2.297336122477259224e+01 2.098474566413015907e+01 1.829076192974572024e+01 1.498358195793194980e+01 1.265655066388776717e+01 1.485884252684228990e+01 1.419993551374857610e+01 1.033310667867021060e+01 1.014195167933145036e+01 1.294399093559465008e+01 1.180638929037757912e+01 8.888597257472472535e+00 1.221371757865666119e+01 1.369527838795558772e+01 1.498926089147092533e+01 1.372043557499802624e+01 1.006148493511456543e+01 1.179823138786860781e+01 1.411707293981881683e+01 1.234051213318238638e+01 8.846159667105469637e+00 8.396568279283124880e+00 1.073989389210872858e+01 8.983210214620067191e+00 5.544714872083132740e+00 8.647720843132789881e+00 1.056833007567855454e+01 8.471629094396742943e+00 8.090116789629174576e+00 1.292289011463766357e+01 1.187413204255475385e+01 1.328401557011500245e+01 1.603441111507189376e+01 1.642290773849326513e+01 1.636970380502370048e+01 1.474898525633847335e+01 1.193240005261704795e+01 1.770840457261609302e+01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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diff changeset
69 2.212055204644255113e+01 2.009839925273384154e+01 2.984782803591945211e+01 3.066191310443145568e+01 2.595174311444634441e+01 2.395307572230657200e+01 2.675809140967232835e+01 2.907613322946112788e+01 3.024813866450547906e+01 3.032571084553255503e+01 3.249830190300402677e+01 2.786831511392339422e+01 3.194726482193107131e+01 3.284069133705394705e+01 2.996950055271928903e+01 2.738070586696981934e+01 2.944860216769989236e+01 2.471568016780744514e+01 2.476210455514896580e+01 2.158219540308108009e+01 2.204713008978868771e+01 1.775942778078005091e+01 2.080249849203108070e+01 1.608348600792094629e+01 1.840648089268963616e+01 2.078555408783350344e+01 1.796769917552683182e+01 1.763203272056301429e+01 2.151825280313794053e+01 1.999920064465527858e+01 2.092776315460732661e+01 2.376765644977976422e+01 2.477847797949564423e+01 2.617251077607380338e+01 2.267298401736338676e+01 2.134712487040984996e+01 2.426863218307375902e+01 2.330132372377784833e+01 2.037118543338905852e+01 2.291088069967472762e+01 2.091354565743824168e+01 1.803798749117441247e+01 2.089361405082817669e+01 2.234678310315452521e+01 1.926474290013716839e+01 1.923813687930978134e+01 2.304691879601713111e+01 2.270318830063074600e+01 1.998398656627668402e+01 1.777501217612366347e+01 1.433957138227913397e+01 1.237403010542811899e+01 1.504492173727029147e+01 1.448544622781935942e+01 1.062047995493980856e+01 1.126950963699886721e+01 1.438674334445299863e+01 1.296995966751877383e+01 1.036329092376856664e+01 1.353411885661242486e+01 1.493719433412116970e+01 1.621388821918758794e+01 1.503253435066894461e+01 1.124542710938998269e+01 1.290337453863429396e+01 1.540006026037436726e+01 1.313782264982620873e+01 9.450730906592179181e+00 8.646328302360814178e+00 1.095997522367742150e+01 9.671339806751953816e+00 6.064476032524136251e+00 8.794676421610233774e+00 1.089585002882123455e+01 8.772425286058719962e+00 7.587911737590729899e+00 1.271083609221310340e+01 1.145851298503908389e+01 1.245439994588652155e+01 1.552634825996818968e+01 1.551123875971972410e+01 1.555116897850174063e+01 1.354300628123463390e+01 1.095613531869347312e+01 1.682080088442612720e+01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
76 2.242820824810619129e+01 1.954202671265846547e+01 2.915455922593718796e+01 3.042992210225562033e+01 2.615419288108797957e+01 2.478687851796004793e+01 2.803622689775123433e+01 3.030353675738079033e+01 3.044298473078527678e+01 2.939232763679452631e+01 3.314741230286121265e+01 2.845072593042037212e+01 3.245656501912915815e+01 3.238676249859902612e+01 2.995834121724105259e+01 2.728724081033450233e+01 2.901902358929415726e+01 2.447884817282825054e+01 2.498791623415596774e+01 2.189273965340422023e+01 2.229452216443821300e+01 1.742603850483481054e+01 2.051377060644730221e+01 1.573048699001825135e+01 1.806245157047962024e+01 2.025343881034893201e+01 1.762913247368906866e+01 1.752735476794277147e+01 2.144689673035287925e+01 1.987108290969712243e+01 2.147544109158064884e+01 2.414417134379353769e+01 2.526475805881661429e+01 2.594614408380577686e+01 2.252505143203933358e+01 2.057331236586275125e+01 2.361645852788782562e+01 2.293298596655980859e+01 1.975342923735157896e+01 2.238600419655466922e+01 2.064354238359268123e+01 1.780802677487512398e+01 2.081437284507695296e+01 2.297528092081737583e+01 2.017202046493796175e+01 1.981216129852254326e+01 2.358271571705645542e+01 2.347868274598709704e+01 2.089778139549267877e+01 1.830601869481971988e+01 1.500638037412614878e+01 1.285653520086508017e+01 1.515584119303835386e+01 1.472386573135863053e+01 1.097628908311729568e+01 1.168980287308636079e+01 1.433341560604841192e+01 1.272504532068811045e+01 1.013594117797422989e+01 1.352777448001408800e+01 1.498474145634822996e+01 1.641252713684234976e+01 1.498815773594898104e+01 1.143461663079500212e+01 1.328872950413540543e+01 1.538144404755712280e+01 1.286917180157525387e+01 9.309706423190052149e+00 8.220959227913420264e+00 1.028188791932514334e+01 9.434923822603090926e+00 5.739713911480922803e+00 7.932752283911030489e+00 1.042345972902997886e+01 8.815250921123194416e+00 7.485996137033483322e+00 1.271940808737062412e+01 1.153521341059665417e+01 1.320015231040512838e+01 1.568886888733664442e+01 1.531582711999481461e+01 1.516610112668303501e+01 1.298162688322675251e+01 1.050793999463705752e+01 1.676784589895110145e+01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
83 2.309223556269324362e+01 2.055917634506168667e+01 2.968826714467351380e+01 3.088408042386193131e+01 2.616189983934994601e+01 2.421590182671461378e+01 2.721533883431083822e+01 2.955876347374937296e+01 3.057136630566843749e+01 2.972939263104742835e+01 3.275887840227040471e+01 2.808368717384997026e+01 3.241291977017947090e+01 3.244286602996311331e+01 2.922891679615504401e+01 2.741886456974400232e+01 2.945015901207369780e+01 2.457398823056367831e+01 2.451668558568388434e+01 2.196492906581327631e+01 2.240313483492116475e+01 1.780656769575409015e+01 2.087390641583509421e+01 1.629040073843515302e+01 1.855991036915082049e+01 2.101178169478643554e+01 1.835929750804624305e+01 1.763373102149997607e+01 2.146465427677016180e+01 1.980668483259520585e+01 2.100200322571962630e+01 2.381762611311385669e+01 2.481605548565659447e+01 2.553990784194238017e+01 2.196368365447388982e+01 2.084677347010091708e+01 2.367646409461634249e+01 2.223860719721582413e+01 1.947749796112947962e+01 2.235467571906061224e+01 2.024424399342827385e+01 1.774742635887878350e+01 2.087363342672531985e+01 2.272817970409147748e+01 1.984220642422077674e+01 1.931173178403298252e+01 2.317577146235712604e+01 2.320979193928423712e+01 2.034496071530745098e+01 1.838587329984136076e+01 1.508102497760504512e+01 1.278008980674554174e+01 1.504413556864838064e+01 1.470930139840527673e+01 1.083189551437349607e+01 1.094081912198238626e+01 1.395653807155143333e+01 1.220020233592422976e+01 9.130284954933941322e+00 1.225391884844198742e+01 1.399570971185363177e+01 1.545356171617766705e+01 1.399168619129338786e+01 1.038612271016973665e+01 1.248477416418629460e+01 1.452522141657253130e+01 1.241509551388961263e+01 8.753426493797668684e+00 8.541907301238907735e+00 1.088248328329243364e+01 9.215293364845791757e+00 5.908163945147212104e+00 8.901411119516724924e+00 1.081422360949890304e+01 8.777627373492475016e+00 8.282634293808323278e+00 1.295493879905075119e+01 1.156101546936056224e+01 1.332451580781449429e+01 1.603943013889951175e+01 1.598928311174811334e+01 1.659491974488423693e+01 1.475671275869068566e+01 1.208909260556296594e+01 1.778490643332957433e+01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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diff changeset
90 2.278616982190382245e+01 1.904199568017856592e+01 2.843368832514554612e+01 3.046718416954942654e+01 2.628148129834112368e+01 2.494138945478499991e+01 2.818564907891717652e+01 3.048658217338259391e+01 3.117561850484816333e+01 2.960807242737203993e+01 4.804214836249251164e+01 2.842500465513701613e+01 3.267672183107692518e+01 3.290284954386405758e+01 3.036476938063352193e+01 2.770920365392665730e+01 2.959309908723404448e+01 2.515323176838604269e+01 2.518363153514802377e+01 2.219620712224732273e+01 2.238039638575472878e+01 1.770330919177827056e+01 2.058013256107348354e+01 1.589334640592296211e+01 1.815790185549228042e+01 2.044143220793241156e+01 1.762448414327074175e+01 1.738456675931022843e+01 2.125272128288475670e+01 1.980406614527226239e+01 2.106734723353738303e+01 2.387841218669456111e+01 2.455359221176887630e+01 2.553225310315136909e+01 2.212627210840164693e+01 2.080327430245719711e+01 2.379129414312455282e+01 2.273239890478928160e+01 1.991425049822769466e+01 2.291537885149072551e+01 2.098756906492039676e+01 1.833154659362916306e+01 2.140963732116146190e+01 2.315075198729615025e+01 2.037348360219294463e+01 1.973714890752370721e+01 2.359859659126589548e+01 2.389780421744062977e+01 2.091724832471873086e+01 1.893647863169745804e+01 1.563695737239860151e+01 1.328810790846758394e+01 1.570684057059578720e+01 1.515660489363906294e+01 1.126232786713315726e+01 1.170466302293177385e+01 1.446440627273460855e+01 1.239198990428986846e+01 9.797717580319581288e+00 1.288282536398603995e+01 1.435897712013766814e+01 1.580742362927215261e+01 1.409135974278094849e+01 1.066076260836723222e+01 1.293613431600764940e+01 1.488816743822417976e+01 1.254161315791314379e+01 9.075711670975431744e+00 7.882662671994158821e+00 1.044291309853396932e+01 9.454101236833968969e+00 5.813186730526017421e+00 8.105120961189578921e+00 1.074433717241816133e+01 9.117588845184620538e+00 8.163753928869567744e+00 1.317075939304100807e+01 1.171912814328812757e+01 1.320783803792585509e+01 1.596471406331746223e+01 1.585218710484799054e+01 1.571755624814901253e+01 1.338649299145450300e+01 1.091076697246888472e+01 1.693294297391200587e+01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
96 2.292798636881383345e+01 1.915884215847960093e+01 2.852052760745638693e+01 3.049128554624719101e+01 2.599974318371792492e+01 2.487124133030555484e+01 2.815794081500551727e+01 2.992954751717624262e+01 3.062179602255837452e+01 2.996989703753056133e+01 3.358015269738864816e+01 2.825652180597104035e+01 3.228039943242055898e+01 3.307621555657367907e+01 2.976474479208461688e+01 2.723591602359698882e+01 2.935462787196455636e+01 2.477142341333668440e+01 2.489490638287462687e+01 2.213972959829047227e+01 2.265932803332060885e+01 1.819567533482054600e+01 2.113744792360688862e+01 1.647248737017200071e+01 1.872851395418993903e+01 2.088680852163044221e+01 1.818505570775468172e+01 1.773269356252590612e+01 2.166711761421465710e+01 1.979073259040405830e+01 2.156041657991583804e+01 2.404614808194170195e+01 2.458076167079539331e+01 2.594913831839315677e+01 2.291161394221566283e+01 2.068989078380047530e+01 2.343149782709433282e+01 2.262834059401104625e+01 1.971649076704182946e+01 2.246427262122287871e+01 2.061050514345809148e+01 1.807670737225911850e+01 2.136741586378044389e+01 2.285915911400532252e+01 2.000299533365195259e+01 1.971732160044476956e+01 2.357955861651243978e+01 2.358326079258635488e+01 2.094789577235699340e+01 1.879394316125351594e+01 1.540097465042861913e+01 1.328931840776193418e+01 1.565554955634096146e+01 1.508492676310003056e+01 1.131308080974748442e+01 1.133936497304981650e+01 1.381337781861230063e+01 1.210758469300247953e+01 9.453016410554006654e+00 1.297832630239126317e+01 1.416056791327204678e+01 1.541440010846429587e+01 1.429141625849735497e+01 1.063080404347116392e+01 1.206187683332484362e+01 1.463273285064329698e+01 1.240773157172915120e+01 8.605161176156567393e+00 8.085235733661743751e+00 1.062981637563854598e+01 9.358125175994111089e+00 5.892087708467980356e+00 8.329429939861048737e+00 1.093585995549489986e+01 9.213524547654735386e+00 8.431494038223808829e+00 1.324049402272171960e+01 1.214537365880883435e+01 1.344552837131687362e+01 1.598587921682469926e+01 1.591766621420057071e+01 1.592732541406164337e+01 1.418807926166951638e+01 1.156651643374086369e+01 1.731010547931496646e+01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
97 2.268930265662034174e+01 1.948838390995509684e+01 2.863438328327809401e+01 3.041845350060386721e+01 2.655306758944624690e+01 2.528064621538872458e+01 2.857900721188956084e+01 3.075408575980933890e+01 3.143219742353937463e+01 3.021397247228643579e+01 3.384947037594646702e+01 2.826787201364292912e+01 3.205571196656695321e+01 3.237048936394305088e+01 2.944332019835130509e+01 2.700786052083250866e+01 2.888455920502727992e+01 2.455142263092880128e+01 2.438261847102643642e+01 2.228976473311299955e+01 2.279528478580608564e+01 1.811018538710802162e+01 2.104267234933601571e+01 1.637094903473347074e+01 1.871326706324757794e+01 2.089053775344588360e+01 1.797311019777602326e+01 1.796030611436245650e+01 2.183292222899692803e+01 2.025183500189255881e+01 2.197927053530403541e+01 2.457320440731674083e+01 2.525429244999227407e+01 2.586404677850577372e+01 2.239546353646014865e+01 2.102374732341818842e+01 2.380155818652099597e+01 2.203753235969148250e+01 1.944704445763485623e+01 2.223193341694856073e+01 2.061482930568599059e+01 1.802715296252571875e+01 2.117024640014972547e+01 2.291672038035449077e+01 2.018124819410202520e+01 2.004739010971254487e+01 2.383937550855796772e+01 2.402715374625586620e+01 2.122583787794341248e+01 1.897955073570024709e+01 1.575457749034327115e+01 1.339279760499135463e+01 1.546908377233129706e+01 1.474603081200927512e+01 1.092499534853209298e+01 1.111846871481722410e+01 1.386177468697872683e+01 1.233686900159082178e+01 9.222871093407693621e+00 1.240868525821175616e+01 1.402105767763723065e+01 1.534884436179534895e+01 1.416224313871896179e+01 1.042000069262147299e+01 1.195360990794034528e+01 1.478323777108213299e+01 1.283813011967701456e+01 9.238780344118785237e+00 8.779014078363164941e+00 1.092094106700198886e+01 9.548126836750171265e+00 6.092796239645772438e+00 8.612909965700202619e+00 1.099025250276072185e+01 9.055735267274197753e+00 8.175614057597394790e+00 1.320596083561989786e+01 1.219401442715257033e+01 1.353186317914185821e+01 1.637449098683828907e+01 1.625761436286246564e+01 1.596930929188938997e+01 1.423056977365794040e+01 1.123283575860336114e+01 1.678683120161618092e+01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
99 2.202407315605518079e+01 1.866214530062807953e+01 2.786873397312587741e+01 2.989338056639447672e+01 2.592472696242446517e+01 2.464685908252712210e+01 2.800472338193674560e+01 3.013486729115912155e+01 3.035312770482918054e+01 2.969369471575236830e+01 3.319789239236195755e+01 2.839107134221452711e+01 3.196324504737660988e+01 3.268025149948142172e+01 2.975238846752990796e+01 2.723628518475456417e+01 2.917853598927293746e+01 2.474087915741493759e+01 2.481867028476474246e+01 2.252726095706296761e+01 2.283843476907934544e+01 1.816538420477539617e+01 2.104173998228313280e+01 1.618315652525960857e+01 1.886860970691864736e+01 2.074252751002988404e+01 1.769098985166284521e+01 1.781084288075136612e+01 2.161667368926160648e+01 1.969361098432322876e+01 2.197611189816439392e+01 2.436839479180990153e+01 2.544064103955674838e+01 2.698332539275868314e+01 2.375342386649482762e+01 2.144486401136425968e+01 2.422525498098509900e+01 2.302679557274618460e+01 2.019928362147477330e+01 2.303911949349869914e+01 2.127845499103513305e+01 1.841821398985862857e+01 2.104514955756278383e+01 2.304041690119574426e+01 2.021455780401624125e+01 1.945640903464675375e+01 2.332163352386224631e+01 2.360185129916755287e+01 2.079552717336817125e+01 1.881661755260206448e+01 1.546563324354403868e+01 1.351464620750965651e+01 1.579933229565224906e+01 1.506531780701330447e+01 1.128277108843965770e+01 1.189711200860176987e+01 1.418811533841087780e+01 1.243385197305319956e+01 9.500501941614144741e+00 1.257016462436966719e+01 1.435295070325592093e+01 1.588213028314672393e+01 1.435265885487801718e+01 1.069637808017769842e+01 1.273862108816684824e+01 1.474414046745918050e+01 1.255771574556324666e+01 8.871087828684363075e+00 8.044322077380879676e+00 1.036413285734630030e+01 9.127460813466671041e+00 5.335318405500705019e+00 7.571804881686750477e+00 1.049126616605853179e+01 8.969249118700046708e+00 8.281969190203454900e+00 1.314342540360868661e+01 1.204390794839171619e+01 1.317608022345867802e+01 1.604694562821969583e+01 1.576390109881005586e+01 1.539816884541754760e+01 1.373636274692088399e+01 1.062081918147829640e+01 1.633173912278603623e+01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
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