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"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 078dfd7fb26d
children
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#x	ACF	frict_coeff	gauss_filtered_frict_coeff	av_window_frict_coeff
0.00000000	439653.22756622	0.00000000	39.85704130	-164.30975524
0.00000200	41861.51118060	-309.80490686	39.90128147	-42.50284457
0.00000400	-4760.58383990	-1433.31122481	39.98937507	132.75776205
0.00000600	-52063.97568219	-1302.42266399	40.10796653	273.24484877
0.00000800	-94137.43307581	-696.00283593	40.26787861	322.90057440
0.00001000	-109240.44374298	59.67135417	40.47438205	310.49706801
0.00001200	-91296.29474097	200.26534006	40.74119359	300.71687201
0.00001400	-42279.73264591	-211.00314767	41.08344474	307.77939795
0.00001600	29083.13222726	-299.86397145	41.51045417	289.59363364
0.00001800	100957.95082594	706.27695160	42.02391473	213.62523715
0.00002000	150492.32652407	2436.13821354	42.62185633	115.80351000
0.00002200	163610.52308989	3505.21213240	43.30185229	72.52474633
0.00002400	137798.21546909	2809.74173435	44.06395945	119.32042200
0.00002600	86552.97296922	993.11451262	44.91354630	219.23877027
0.00002800	30065.89230936	-248.07012791	45.85833909	214.16642537
0.00003000	-15271.83960767	-195.60392001	46.90428227	107.42336841
0.00003200	-41143.37576909	141.25051892	48.05595140	-10.23715919
0.00003400	-45603.75654834	-363.71528632	49.31891708	-41.13071129
0.00003600	-31933.14574422	-1519.36792976	50.67717643	11.13789839
0.00003800	-11580.24564270	-1956.43454302	52.14035913	47.86749694
0.00004000	1795.96943076	-865.57527338	53.69638462	-13.42971260
0.00004200	-6069.40567724	626.10860652	55.34660090	-151.70147237
0.00004400	-36605.44103603	565.05574074	57.08967355	-284.06117371
0.00004600	-88409.03954732	-1403.86956218	58.91185508	-352.46208669
0.00004800	-119187.64656330	-2830.86397506	60.79652934	-358.13736161
0.00005000	-126958.63383213	-2293.53919791	62.72537859	-329.02117947
0.00005200	-105144.23378691	-417.60570188	64.67974189	-286.64057459
0.00005400	-57578.18477311	834.36904591	66.64059843	-231.16675138
0.00005600	7642.76668942	434.72799961	68.58976595	-160.41908396
0.00005800	73314.58537446	-519.66723923	70.51136345	-97.11322986
0.00006000	117239.42596973	-329.29698187	72.38916035	-71.95507125
0.00006200	122335.84589389	858.01810556	74.20116994	-72.69735215
0.00006400	90700.59252948	1441.72347492	75.92201577	-50.06936146
0.00006600	40928.26316446	879.60901414	77.52654008	55.63484244
0.00006800	-3181.66487546	334.25351485	78.99192675	197.17614864
0.00007000	-31227.72623817	652.00817770	80.29696328	378.84255238
0.00007200	-43642.08135556	1250.72698300	81.42019653	507.21229626
0.00007400	-37578.91493866	1051.23806218	82.34208812	533.01944777
0.00007600	-9313.59450148	-253.25084775	83.04041098	497.57963010
0.00007800	35606.42432047	-1453.27137086	83.53076487	484.49556872
0.00008000	74825.06321773	-880.42089139	83.79365831	512.38603041
0.00008200	87450.95751560	1078.66842032	83.81028733	508.57269634
0.00008400	84964.54130532	2679.13981866	83.55962529	417.18682766
0.00008600	33723.38650302	1426.95656188	83.03964822	275.01069883
0.00008800	26888.00526112	802.46409967	82.26457780	159.07974622
0.00009000	15764.22367820	273.85567979	81.25039304	86.68872404
0.00009200	-1018.04050367	98.53732822	80.00383608	19.95207715
0.00009400	-18778.21955924	125.57269254	78.52437737	-55.26075096
0.00009600	-25696.85381088	173.04677203	76.81790266	-95.82294253
0.00009800	-19020.27963144	38.14199457	74.90534804	-40.08283716
0.00010000	-13853.36236626	-405.56366316	72.81359766	112.25327202
0.00010200	-22360.23253615	-969.69926808	70.56500733	263.50051564
0.00010400	-39525.81005506	-1401.79910164	68.18385377	320.37515633
0.00010600	-47887.23125912	-1439.01003806	65.70767268	323.43291333
0.00010800	-38703.50620624	-1113.56692890	63.18337712	284.23466280
0.00011000	-15756.47051989	-682.72476001	60.65377002	277.77044438
0.00011200	10148.75573217	-253.52957929	58.15278984	250.27515323
0.00011400	32489.76783313	239.99423089	55.71193773	178.79248872
0.00011600	48846.14416151	861.55125965	53.36798832	70.38368037
0.00011800	60211.15804332	1593.45081266	51.19169051	-55.24610237
0.00012000	64597.66151097	2144.52398093	49.22113114	-170.30467384
0.00012200	58795.32774769	2216.16123424	47.49918918	-248.93156307
0.00012400	63226.50291119	2740.29495857	46.05677747	-270.24081648
0.00012600	7112.67333129	642.99155129	44.93086250	-206.96775261
0.00012800	4737.67676382	673.17973142	44.16608448	-50.37244372
0.00013000	-10629.83066809	-276.05014319	43.80477020	154.04681427
0.00013200	-24445.08596782	-1331.11596207	43.87860095	320.32723893
0.00013400	-38089.44576760	-2042.60347448	44.40990189	378.66585808
0.00013600	-53888.48385453	-2339.54888278	45.42258092	320.31441637
0.00013800	-65525.93331796	-2263.02943488	46.94717499	192.76961767
0.00014000	-66605.80950981	-1978.10144773	49.01173919	46.49351043
0.00014200	-59461.87405093	-1395.88433631	51.62964197	-100.43225450
0.00014400	-50082.83777468	-136.33782409	54.79891493	-258.31822307
0.00014600	-36265.73051644	1692.89613965	58.50910094	-447.27992440
0.00014800	-11065.11218743	2974.81823090	62.74931610	-601.98154580
0.00015000	24574.77396976	2642.88373319	67.50830566	-716.60080679
0.00015200	53704.30727291	913.24280375	72.76914377	-754.65637852
0.00015400	62641.21173742	-927.03460327	78.50486320	-713.36174226
0.00015600	50475.22167026	-1689.34471443	84.67941051	-602.77004154
0.00015800	27415.48879178	-1332.07133205	91.25069147	-429.82867913
0.00016000	659.52027909	-793.99131765	98.16114225	-214.90982911
0.00016200	-27358.17056213	-941.55813718	105.35683648	-1.93703392
0.00016400	-36359.81639946	-1038.93906805	112.78930315	141.63166343
0.00016600	-103478.83628142	-2451.04087672	120.41222030	155.07119820
0.00016800	-98122.08801466	-1619.20548854	128.15466148	39.58301004
0.00017000	-91470.31369949	-1037.16157762	135.94071127	-128.72347744
0.00017200	-70167.76251890	-505.22323695	143.69516807	-240.17685720
0.00017400	-43298.45234300	169.23053990	151.35171103	-223.11938998
0.00017600	-13147.13005351	1119.27836540	158.84649112	-87.45006406
0.00017800	13812.88135432	2035.34756564	166.10612536	85.27603300
0.00018000	29405.90836664	2281.35445610	173.04701036	209.91332866
0.00018200	27785.78282904	1475.48961051	179.59291666	253.65425754
0.00018400	16400.24253711	132.45287134	185.68841711	300.73216440
0.00018600	5032.51740518	-616.86762340	191.28914198	352.67911780
0.00018800	-684.42414340	-391.31151887	196.34017758	475.23116164
0.00019000	-2606.74806622	413.81613798	200.77390679	556.19143606
0.00019200	-4228.75142469	1254.39214820	204.53041970	608.04951495
0.00019400	-2944.53596867	1786.35191510	207.57544804	633.31067679
0.00019600	4064.05842526	1765.17722675	209.89395091	624.84914980
0.00019800	11878.81314410	1160.67458116	211.46967661	568.88523153
0.00020000	12188.47862387	80.82726004	212.27097983	467.11785325