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annotate test-data/contacts.dat @ 0:4f3222cb5cf6 draft

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"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
author chemteam
date Fri, 11 Sep 2020 21:54:45 +0000
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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diff changeset
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
parents:
diff changeset
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
parents:
diff changeset
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
parents:
diff changeset
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
parents:
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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diff changeset
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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diff changeset
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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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
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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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
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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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
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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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
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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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
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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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
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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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
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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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
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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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
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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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
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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diff changeset
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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diff changeset
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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diff changeset
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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diff changeset
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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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
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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diff changeset
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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diff changeset
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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diff changeset
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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diff changeset
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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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
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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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
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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diff changeset
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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diff changeset
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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diff changeset
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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diff changeset
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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diff changeset
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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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
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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diff changeset
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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diff changeset
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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diff changeset
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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diff changeset
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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diff changeset
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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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
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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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
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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diff changeset
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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diff changeset
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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diff changeset
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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diff changeset
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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diff changeset
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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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
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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diff changeset
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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diff changeset
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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diff changeset
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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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
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
parents:
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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
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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