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"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
author chemteam
date Fri, 13 Nov 2020 19:37:55 +0000
parents dd195f7a791c
children
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
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
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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:
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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:
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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"
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12 -1.330822e-01 -3.416345e-01 2.463836e-01 1.411187e-01 -1.571927e-01 -3.629214e-01 -2.883483e-01 -2.239966e-01 3.473655e-02 4.706586e-01 1.906227e-01 1.000000e+00 9.099525e-01 8.244937e-01 7.332846e-01 8.408496e-01 8.159996e-01 2.352769e-01 5.306269e-01 -1.776685e-01 -2.910974e-01 -6.644121e-01 2.158158e-02 -6.988150e-01 -4.519654e-01 3.760807e-01 -1.586384e-01 -2.377482e-01 4.418044e-01 -1.073545e-01 9.843773e-03 5.121765e-01 7.088202e-01 4.788533e-01 -1.637085e-02 -1.832051e-01 3.133831e-01 -3.394443e-01 -6.516296e-01 -5.476926e-01 -7.298660e-01 -7.183911e-01 -6.627650e-01 -5.359242e-01 -7.045185e-01 -6.241821e-01 -3.434497e-01 -4.946690e-01 -3.801507e-01 -7.418310e-01 -7.042004e-01 -8.128899e-01 -7.542497e-01 -7.641012e-01 -7.796941e-01 -7.773261e-01 -7.098246e-01 -7.138950e-01 -6.972134e-01 -6.560107e-01 -6.365032e-01 -5.864583e-01 -6.319345e-01 -6.956234e-01 -6.686634e-01 -6.237408e-01 -6.779813e-01 -7.482894e-01 -7.147416e-01 -6.493024e-01 -7.349901e-01 -7.651534e-01 -7.141762e-01 -7.175787e-01 -8.081655e-01 -8.237756e-01 -7.912678e-01 -7.628213e-01 -7.640757e-01 -6.902476e-01 -7.143363e-01 -6.647533e-01 -7.311628e-01 -6.482766e-01 -5.455479e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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13 -1.863497e-01 -4.178790e-01 1.096001e-01 -1.318258e-02 -2.407599e-01 -4.485757e-01 -3.090290e-01 -2.341026e-01 -1.214924e-02 3.049507e-01 8.691791e-02 9.099525e-01 1.000000e+00 9.106286e-01 8.360977e-01 9.282663e-01 8.950752e-01 3.709390e-01 5.985413e-01 -1.052241e-01 -2.166399e-01 -6.921322e-01 4.223879e-02 -7.791721e-01 -5.680008e-01 3.045543e-01 -2.704932e-01 -3.690873e-01 3.368723e-01 -2.525589e-01 -1.739759e-01 3.744539e-01 6.667881e-01 4.572662e-01 -1.039468e-01 -2.685636e-01 2.931476e-01 -3.805686e-01 -6.822593e-01 -4.645787e-01 -6.955590e-01 -7.319177e-01 -6.513475e-01 -4.904911e-01 -6.911369e-01 -6.125133e-01 -2.684779e-01 -4.333133e-01 -3.365614e-01 -6.937694e-01 -6.981179e-01 -7.980628e-01 -7.445777e-01 -7.738769e-01 -8.082693e-01 -8.167876e-01 -7.678438e-01 -7.959875e-01 -7.800963e-01 -7.099788e-01 -6.954007e-01 -7.007012e-01 -7.394406e-01 -7.836116e-01 -7.712356e-01 -7.131326e-01 -7.780136e-01 -8.249043e-01 -8.080233e-01 -7.600627e-01 -8.301536e-01 -8.431814e-01 -8.153323e-01 -8.176621e-01 -8.597779e-01 -8.719967e-01 -8.009398e-01 -7.701474e-01 -7.630641e-01 -6.862149e-01 -7.419617e-01 -7.303442e-01 -7.936460e-01 -7.701132e-01 -6.224258e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
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14 -2.155688e-01 -5.052305e-01 5.268041e-02 -7.316639e-02 -2.905393e-01 -4.924324e-01 -3.654756e-01 -2.961155e-01 -4.834041e-02 2.906599e-01 7.807484e-02 8.244937e-01 9.106286e-01 1.000000e+00 9.208280e-01 9.462091e-01 9.139313e-01 4.913913e-01 6.271186e-01 -6.893529e-02 -1.685664e-01 -6.523104e-01 -2.363408e-02 -7.980614e-01 -6.439903e-01 1.813825e-01 -3.966644e-01 -4.893866e-01 2.071054e-01 -3.874076e-01 -2.633696e-01 2.681889e-01 5.629374e-01 3.225763e-01 -1.726567e-01 -2.963350e-01 2.269076e-01 -3.133186e-01 -5.615970e-01 -3.429197e-01 -5.472078e-01 -6.182165e-01 -5.151162e-01 -3.364074e-01 -5.639760e-01 -5.091775e-01 -1.550404e-01 -3.180872e-01 -2.571034e-01 -6.020716e-01 -6.586345e-01 -7.392475e-01 -6.618839e-01 -6.892217e-01 -7.693772e-01 -7.630943e-01 -6.842723e-01 -7.173111e-01 -7.199225e-01 -6.301308e-01 -6.734645e-01 -7.056248e-01 -7.751638e-01 -7.861175e-01 -7.764035e-01 -7.479788e-01 -8.139007e-01 -8.444533e-01 -8.404080e-01 -7.991393e-01 -8.557409e-01 -8.593951e-01 -8.369673e-01 -8.378230e-01 -8.468936e-01 -8.490460e-01 -7.798929e-01 -7.452466e-01 -7.125735e-01 -6.252751e-01 -7.401821e-01 -7.482449e-01 -8.052809e-01 -7.884804e-01 -6.350756e-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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16 -2.206246e-01 -5.283117e-01 3.352183e-02 -1.124969e-01 -3.460593e-01 -5.518491e-01 -4.254947e-01 -3.609352e-01 -1.259025e-01 2.493826e-01 4.525338e-03 8.408496e-01 9.282663e-01 9.462091e-01 9.275741e-01 1.000000e+00 9.572359e-01 5.432995e-01 6.576778e-01 -8.777648e-04 -1.303186e-01 -6.460368e-01 4.048367e-02 -8.237413e-01 -6.636115e-01 1.816177e-01 -4.146574e-01 -5.078443e-01 1.732505e-01 -3.924504e-01 -2.926538e-01 2.636235e-01 5.469245e-01 3.075166e-01 -2.328872e-01 -3.667380e-01 2.227302e-01 -3.902400e-01 -6.193214e-01 -4.067377e-01 -5.703493e-01 -6.154276e-01 -5.189614e-01 -3.479028e-01 -5.564573e-01 -4.706503e-01 -1.025244e-01 -2.737841e-01 -1.877409e-01 -5.654564e-01 -6.069709e-01 -7.174321e-01 -6.412519e-01 -6.756896e-01 -7.570465e-01 -7.510357e-01 -6.792719e-01 -7.343125e-01 -7.403212e-01 -6.465646e-01 -6.700249e-01 -7.266235e-01 -7.867568e-01 -8.095772e-01 -7.985014e-01 -7.777382e-01 -8.400594e-01 -8.636912e-01 -8.552768e-01 -8.180979e-01 -8.690993e-01 -8.574779e-01 -8.490839e-01 -8.496703e-01 -8.556746e-01 -8.547561e-01 -7.867239e-01 -7.505099e-01 -7.286908e-01 -6.326231e-01 -7.273720e-01 -7.379293e-01 -7.979767e-01 -8.018801e-01 -6.224103e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
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17 -2.077389e-01 -5.787187e-01 -2.823076e-02 -1.621467e-01 -3.935476e-01 -6.111508e-01 -5.197322e-01 -4.509320e-01 -1.956522e-01 2.328952e-01 -5.420162e-02 8.159996e-01 8.950752e-01 9.139313e-01 8.382679e-01 9.572359e-01 1.000000e+00 6.052732e-01 7.608674e-01 8.334831e-02 -5.499201e-02 -5.848645e-01 7.277751e-02 -8.052894e-01 -6.896260e-01 8.790303e-02 -4.825574e-01 -5.652521e-01 9.414506e-02 -4.611657e-01 -3.671567e-01 2.234057e-01 4.903952e-01 2.377015e-01 -2.991286e-01 -4.274706e-01 1.513300e-01 -4.484239e-01 -6.140025e-01 -4.525690e-01 -5.511220e-01 -5.685281e-01 -4.891272e-01 -3.196181e-01 -5.126042e-01 -4.166647e-01 -4.066127e-02 -2.236498e-01 -1.286967e-01 -5.172705e-01 -5.637360e-01 -6.729403e-01 -5.976799e-01 -6.368232e-01 -7.296677e-01 -7.117022e-01 -6.330952e-01 -6.943663e-01 -7.066731e-01 -6.135549e-01 -6.619627e-01 -7.320588e-01 -7.946001e-01 -7.951900e-01 -7.951710e-01 -7.882722e-01 -8.577328e-01 -8.801283e-01 -8.692703e-01 -8.435729e-01 -8.854893e-01 -8.570164e-01 -8.522749e-01 -8.547178e-01 -8.435484e-01 -8.313716e-01 -7.361319e-01 -6.946414e-01 -6.739556e-01 -5.842908e-01 -7.093924e-01 -7.142225e-01 -7.794025e-01 -7.801353e-01 -6.219639e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
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19 -9.386961e-02 -5.917009e-01 -2.327917e-01 -3.176124e-01 -5.800771e-01 -7.376522e-01 -7.344123e-01 -6.865944e-01 -4.526440e-01 1.921274e-02 -3.029202e-01 5.306269e-01 5.985413e-01 6.271186e-01 5.588565e-01 6.576778e-01 7.608674e-01 7.072564e-01 1.000000e+00 3.986681e-01 2.803805e-01 -2.556622e-01 2.277644e-01 -6.295068e-01 -6.539300e-01 -2.286083e-01 -6.118462e-01 -6.101464e-01 -1.513521e-01 -5.861176e-01 -4.883026e-01 -2.670273e-02 1.711632e-01 -3.357947e-02 -4.731208e-01 -5.350794e-01 -3.322501e-02 -5.202720e-01 -5.014460e-01 -4.590188e-01 -2.752313e-01 -2.074890e-01 -1.316686e-01 3.070994e-02 -1.488610e-01 -4.021856e-02 3.191140e-01 1.648787e-01 2.506243e-01 -1.526676e-01 -2.370011e-01 -3.349116e-01 -2.651544e-01 -3.053094e-01 -4.493560e-01 -4.084988e-01 -3.002302e-01 -4.396566e-01 -4.904849e-01 -4.039061e-01 -4.850038e-01 -6.306089e-01 -7.240340e-01 -6.316560e-01 -6.685427e-01 -6.833893e-01 -7.326067e-01 -7.348346e-01 -7.166011e-01 -7.196140e-01 -7.169225e-01 -6.298099e-01 -6.399581e-01 -6.404450e-01 -5.944180e-01 -5.480525e-01 -4.031748e-01 -3.522439e-01 -3.511441e-01 -2.902689e-01 -4.347268e-01 -5.306829e-01 -5.495171e-01 -5.608826e-01 -3.565057e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
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20 1.107098e-01 -2.884092e-01 -4.032575e-01 -4.320223e-01 -4.908030e-01 -4.937712e-01 -6.402481e-01 -6.480601e-01 -6.461011e-01 -4.483803e-01 -6.659480e-01 -1.776685e-01 -1.052241e-01 -6.893529e-02 2.936763e-03 -8.777648e-04 8.334831e-02 4.994747e-01 3.986681e-01 1.000000e+00 8.663798e-01 4.098365e-01 4.364579e-01 -3.235068e-02 -2.275914e-01 -4.462549e-01 -4.489369e-01 -4.310736e-01 -5.954812e-01 -5.160440e-01 -5.099080e-01 -3.871583e-01 -4.221284e-01 -5.112662e-01 -5.567616e-01 -4.506506e-01 -2.810354e-01 -3.247207e-01 -8.282623e-02 -1.768874e-01 2.167416e-01 4.020779e-01 3.534569e-01 3.423302e-01 4.587806e-01 5.596757e-01 5.717807e-01 5.730363e-01 6.888416e-01 5.261147e-01 4.697363e-01 4.330064e-01 4.501650e-01 4.132948e-01 2.776534e-01 3.111581e-01 3.504366e-01 2.568830e-01 2.106596e-01 2.963383e-01 1.687565e-01 -7.476423e-02 -1.229688e-01 1.259242e-02 -4.379659e-02 -1.829990e-01 -1.558615e-01 -8.616110e-02 -1.023480e-01 -1.999985e-01 -6.103626e-02 6.005282e-02 3.676946e-03 2.071838e-02 1.570923e-01 1.948168e-01 2.633609e-01 2.692925e-01 2.214017e-01 3.071796e-01 2.452853e-01 1.318055e-01 1.564667e-01 3.328580e-03 9.695021e-02
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
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21 1.323555e-01 -2.639891e-01 -4.205088e-01 -4.669577e-01 -4.704336e-01 -4.174550e-01 -5.357006e-01 -5.725689e-01 -5.988229e-01 -4.584628e-01 -6.096976e-01 -2.910974e-01 -2.166399e-01 -1.685664e-01 -9.507706e-02 -1.303186e-01 -5.499201e-02 3.550642e-01 2.803805e-01 8.663798e-01 1.000000e+00 6.264073e-01 5.975263e-01 8.941138e-02 -1.649037e-01 -4.931930e-01 -3.982804e-01 -3.873988e-01 -6.031345e-01 -4.670770e-01 -4.829487e-01 -4.530595e-01 -4.816654e-01 -4.930279e-01 -4.930900e-01 -3.842409e-01 -2.847069e-01 -2.304123e-01 2.336676e-02 -4.625275e-02 3.349768e-01 4.598900e-01 4.276751e-01 4.102858e-01 4.757856e-01 5.288558e-01 5.101361e-01 5.359089e-01 6.497017e-01 5.567887e-01 4.981166e-01 5.111480e-01 5.122406e-01 4.880839e-01 3.867175e-01 3.963903e-01 4.186793e-01 3.234523e-01 2.697681e-01 3.462694e-01 2.432809e-01 4.549035e-03 -6.777410e-02 1.073697e-01 5.063884e-02 -8.559754e-02 -7.741360e-02 -3.598244e-03 -1.498122e-02 -1.253276e-01 1.876480e-02 1.470143e-01 9.307205e-02 1.002599e-01 2.242864e-01 2.811730e-01 3.738040e-01 3.767890e-01 3.704404e-01 4.838808e-01 4.095715e-01 3.019252e-01 3.198691e-01 1.838775e-01 2.457440e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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22 2.574365e-01 9.212837e-02 -3.040400e-01 -3.068570e-01 -1.604482e-01 1.542259e-02 -1.160546e-01 -2.008515e-01 -3.749503e-01 -4.140336e-01 -4.352351e-01 -6.644121e-01 -6.921322e-01 -6.523104e-01 -5.863074e-01 -6.460368e-01 -5.848645e-01 -1.728851e-01 -2.556622e-01 4.098365e-01 6.264073e-01 1.000000e+00 4.309251e-01 6.419156e-01 3.661526e-01 -4.396844e-01 1.134428e-02 7.042352e-02 -4.402496e-01 -1.973842e-02 -9.935643e-02 -4.771451e-01 -6.767271e-01 -4.579817e-01 -1.918279e-01 -7.184628e-02 -3.337023e-01 1.050485e-01 4.340193e-01 2.181697e-01 5.865825e-01 6.964493e-01 6.100881e-01 4.829526e-01 6.127797e-01 5.805471e-01 3.395184e-01 4.672347e-01 5.129408e-01 6.650916e-01 6.867682e-01 7.469610e-01 7.027271e-01 7.186192e-01 7.355737e-01 7.321096e-01 7.084830e-01 6.780579e-01 6.315121e-01 6.264265e-01 6.187852e-01 4.726769e-01 4.387794e-01 5.674477e-01 5.414784e-01 3.977073e-01 4.504346e-01 5.084555e-01 4.720787e-01 3.879870e-01 5.053677e-01 5.900430e-01 5.619544e-01 5.585938e-01 6.567063e-01 7.052249e-01 7.472865e-01 7.218035e-01 7.367016e-01 7.840032e-01 7.914276e-01 7.825046e-01 7.817212e-01 6.653303e-01 6.427889e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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diff changeset
23 2.232413e-01 -2.029472e-01 -1.055020e-01 -1.426213e-01 -2.450729e-01 -2.985708e-01 -3.905302e-01 -4.169560e-01 -3.753507e-01 -5.883385e-02 -3.443899e-01 2.158158e-02 4.223879e-02 -2.363408e-02 2.432049e-02 4.048367e-02 7.277751e-02 1.367589e-01 2.277644e-01 4.364579e-01 5.975263e-01 4.309251e-01 1.000000e+00 2.081531e-02 -4.500762e-03 -3.412875e-02 -1.282887e-01 -2.364043e-01 -1.565837e-01 -1.557832e-01 -2.337883e-01 -1.174773e-01 -1.472086e-01 -1.487373e-01 -2.673431e-01 -2.892452e-01 -1.281089e-01 -2.588500e-01 -2.076231e-01 -3.081225e-01 -5.829053e-02 8.599708e-02 2.695677e-02 1.163809e-02 3.411192e-02 1.362273e-01 1.626326e-01 1.604765e-01 3.176951e-01 1.370590e-01 1.647776e-01 1.321224e-01 1.122713e-01 9.156940e-02 9.960055e-02 8.712542e-02 1.041562e-01 6.766576e-02 5.103459e-02 7.596657e-02 1.061899e-02 -1.888843e-01 -1.938336e-01 -8.498973e-02 -1.089057e-01 -1.766635e-01 -1.849055e-01 -1.764888e-01 -1.597843e-01 -2.241491e-01 -1.634107e-01 -5.713908e-02 -5.160899e-02 -4.661915e-02 -3.911070e-02 3.172352e-02 1.288091e-01 1.291358e-01 1.059292e-01 2.325656e-01 1.967527e-01 2.125343e-01 1.462654e-01 4.266313e-02 1.761349e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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diff changeset
24 2.843345e-01 6.139973e-01 8.158669e-02 1.643389e-01 3.550913e-01 5.173034e-01 3.609844e-01 3.108328e-01 1.072431e-01 -1.689782e-01 -1.943973e-02 -6.988150e-01 -7.791721e-01 -7.980614e-01 -7.770484e-01 -8.237413e-01 -8.052894e-01 -5.591246e-01 -6.295068e-01 -3.235068e-02 8.941138e-02 6.419156e-01 2.081531e-02 1.000000e+00 8.555400e-01 -5.972705e-02 5.522424e-01 5.879888e-01 -6.084933e-02 4.695791e-01 3.108559e-01 -2.306940e-01 -5.289821e-01 -3.592615e-01 1.730012e-01 2.575605e-01 -3.304006e-01 2.669006e-01 5.167772e-01 2.582075e-01 4.643058e-01 5.245318e-01 4.067252e-01 2.273976e-01 4.358017e-01 3.908234e-01 2.694552e-02 1.775821e-01 1.573094e-01 4.446471e-01 5.395758e-01 6.184897e-01 5.494190e-01 5.973430e-01 7.282507e-01 7.096223e-01 6.254564e-01 6.909882e-01 6.901262e-01 6.055911e-01 6.141531e-01 6.788585e-01 7.473139e-01 7.740146e-01 7.681898e-01 7.402900e-01 8.042330e-01 8.293364e-01 8.508172e-01 8.082267e-01 8.370657e-01 8.220740e-01 8.683300e-01 8.666427e-01 8.237301e-01 8.359668e-01 7.477473e-01 6.836614e-01 6.492645e-01 5.874072e-01 7.139858e-01 7.495202e-01 7.893347e-01 8.025016e-01 6.621961e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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diff changeset
25 4.133169e-01 7.302590e-01 3.718246e-01 4.319915e-01 5.083281e-01 5.709251e-01 4.396087e-01 4.194724e-01 2.883934e-01 9.873096e-02 1.427751e-01 -4.519654e-01 -5.680008e-01 -6.439903e-01 -6.154797e-01 -6.636115e-01 -6.896260e-01 -6.651585e-01 -6.539300e-01 -2.275914e-01 -1.649037e-01 3.661526e-01 -4.500762e-03 8.555400e-01 1.000000e+00 4.198885e-01 8.338779e-01 7.907444e-01 3.414484e-01 7.282454e-01 5.559023e-01 1.003242e-01 -2.057781e-01 -9.124828e-02 3.139981e-01 3.250277e-01 -2.307925e-01 1.592647e-01 2.656360e-01 2.009967e-02 1.259379e-01 2.274897e-01 8.473547e-02 -8.479305e-02 1.308943e-01 1.337281e-01 -2.212560e-01 -8.547787e-02 -4.682517e-02 1.423055e-01 3.123410e-01 3.314566e-01 2.696772e-01 3.126025e-01 4.558895e-01 4.470451e-01 3.755872e-01 4.768371e-01 5.051449e-01 4.005376e-01 4.212863e-01 5.373292e-01 6.628578e-01 6.453522e-01 6.437793e-01 6.687078e-01 7.374999e-01 7.366281e-01 7.823521e-01 7.649754e-01 7.476358e-01 6.852103e-01 7.623261e-01 7.671947e-01 6.295904e-01 6.087443e-01 4.760125e-01 4.048911e-01 3.605869e-01 3.004237e-01 4.948650e-01 5.944099e-01 6.185711e-01 6.640941e-01 5.693002e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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diff changeset
26 2.622751e-01 3.934171e-01 6.421482e-01 5.818818e-01 3.964148e-01 2.555460e-01 2.757508e-01 3.407418e-01 4.591938e-01 5.247412e-01 3.692395e-01 3.760807e-01 3.045543e-01 1.813825e-01 1.761138e-01 1.816177e-01 8.790303e-02 -3.690335e-01 -2.286083e-01 -4.462549e-01 -4.931930e-01 -4.396844e-01 -3.412875e-02 -5.972705e-02 4.198885e-01 1.000000e+00 6.919895e-01 5.056150e-01 7.936187e-01 6.107614e-01 5.341189e-01 6.248999e-01 5.869720e-01 5.377006e-01 3.569653e-01 2.143523e-01 1.865748e-01 -1.346261e-01 -4.140749e-01 -3.987113e-01 -6.268101e-01 -5.692936e-01 -6.348543e-01 -6.454264e-01 -5.989257e-01 -5.262202e-01 -5.830041e-01 -5.833277e-01 -4.623271e-01 -5.656209e-01 -4.211787e-01 -5.027854e-01 -5.046420e-01 -5.034780e-01 -4.184652e-01 -4.369117e-01 -4.687149e-01 -3.723206e-01 -3.098503e-01 -3.665464e-01 -3.365314e-01 -1.745917e-01 -5.292689e-02 -1.524768e-01 -1.388100e-01 -7.781969e-03 2.016206e-03 -5.067346e-02 1.394847e-02 7.661471e-02 -4.393605e-02 -1.481732e-01 -5.988706e-02 -5.718795e-02 -2.679998e-01 -3.245942e-01 -4.378788e-01 -4.720360e-01 -4.901642e-01 -4.618881e-01 -3.218759e-01 -2.061318e-01 -2.333164e-01 -1.470806e-01 -1.229124e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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diff changeset
27 4.049051e-01 7.618018e-01 6.031534e-01 6.177247e-01 5.920113e-01 6.031201e-01 5.403823e-01 5.580085e-01 5.033418e-01 3.062956e-01 3.365390e-01 -1.586384e-01 -2.704932e-01 -3.966644e-01 -3.967374e-01 -4.146574e-01 -4.825574e-01 -7.170807e-01 -6.118462e-01 -4.489369e-01 -3.982804e-01 1.134428e-02 -1.282887e-01 5.522424e-01 8.338779e-01 6.919895e-01 1.000000e+00 9.160684e-01 6.701638e-01 8.853086e-01 7.167326e-01 3.975278e-01 1.384199e-01 2.442851e-01 4.763034e-01 4.094437e-01 -3.270733e-02 1.022755e-01 2.212418e-02 -1.204014e-01 -1.982102e-01 -1.272387e-01 -2.455376e-01 -3.697242e-01 -1.956813e-01 -1.751852e-01 -4.817421e-01 -3.744396e-01 -3.025797e-01 -1.646479e-01 1.421806e-02 3.654551e-03 -6.890242e-02 -3.287356e-02 1.430739e-01 9.926012e-02 1.038117e-02 1.316532e-01 1.891019e-01 4.236592e-02 1.498537e-01 3.382911e-01 4.876051e-01 4.029959e-01 4.105706e-01 5.331768e-01 5.882206e-01 5.437373e-01 6.052921e-01 6.531791e-01 5.708947e-01 4.666722e-01 5.648489e-01 5.617379e-01 3.573279e-01 3.018681e-01 1.563753e-01 8.275849e-02 6.136411e-02 3.725336e-03 2.079002e-01 3.436987e-01 3.509858e-01 4.551779e-01 3.957721e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
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diff changeset
28 3.536156e-01 7.299321e-01 5.107834e-01 5.483735e-01 5.519395e-01 5.999976e-01 5.586731e-01 5.647136e-01 4.886741e-01 2.575557e-01 3.348558e-01 -2.377482e-01 -3.690873e-01 -4.893866e-01 -4.887203e-01 -5.078443e-01 -5.652521e-01 -7.455981e-01 -6.101464e-01 -4.310736e-01 -3.873988e-01 7.042352e-02 -2.364043e-01 5.879888e-01 7.907444e-01 5.056150e-01 9.160684e-01 1.000000e+00 6.337658e-01 9.027377e-01 7.891050e-01 3.733549e-01 7.317065e-02 2.140698e-01 4.889127e-01 4.472659e-01 -5.572092e-03 1.522988e-01 1.174074e-01 -2.852514e-02 -9.538177e-02 -3.875849e-02 -1.352188e-01 -2.685102e-01 -9.728057e-02 -1.098726e-01 -4.335143e-01 -3.175933e-01 -2.647548e-01 -8.209496e-02 7.196001e-02 9.686475e-02 2.938721e-02 7.840545e-02 2.501020e-01 2.014257e-01 1.004308e-01 2.116522e-01 2.617081e-01 9.864975e-02 2.575616e-01 4.471449e-01 5.606811e-01 4.788230e-01 4.910439e-01 6.051252e-01 6.756173e-01 6.238952e-01 6.782736e-01 7.264951e-01 6.658742e-01 5.467922e-01 6.224609e-01 6.199531e-01 4.476254e-01 3.843930e-01 2.383525e-01 1.670385e-01 1.449137e-01 5.050458e-02 2.699629e-01 3.964177e-01 4.157245e-01 5.165647e-01 4.576519e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
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29 2.328504e-01 3.899963e-01 6.540029e-01 6.042323e-01 4.012121e-01 2.789192e-01 3.520644e-01 4.137956e-01 5.533906e-01 6.258190e-01 4.925701e-01 4.418044e-01 3.368723e-01 2.071054e-01 1.297857e-01 1.732505e-01 9.414506e-02 -4.535820e-01 -1.513521e-01 -5.954812e-01 -6.031345e-01 -4.402496e-01 -1.565837e-01 -6.084933e-02 3.414484e-01 7.936187e-01 6.701638e-01 6.337658e-01 1.000000e+00 7.343066e-01 7.190649e-01 7.292365e-01 6.638944e-01 6.375331e-01 4.493491e-01 2.757972e-01 2.671818e-01 -1.220664e-01 -4.053099e-01 -3.902329e-01 -6.426795e-01 -6.063731e-01 -6.158251e-01 -6.079648e-01 -6.608953e-01 -6.245529e-01 -6.467649e-01 -6.575209e-01 -5.567294e-01 -6.694013e-01 -5.216359e-01 -5.737512e-01 -6.014363e-01 -5.747648e-01 -4.357716e-01 -4.854337e-01 -5.203942e-01 -4.217946e-01 -3.657289e-01 -4.614917e-01 -3.143414e-01 -1.251387e-01 -5.154819e-02 -1.550402e-01 -1.283068e-01 5.046238e-02 5.248604e-02 -5.970267e-02 2.160388e-02 1.113278e-01 -4.382626e-02 -1.785565e-01 -6.058057e-02 -6.191352e-02 -2.932559e-01 -3.567110e-01 -4.351519e-01 -4.851359e-01 -4.721535e-01 -4.884649e-01 -3.320517e-01 -1.827145e-01 -2.294472e-01 -1.004115e-01 -4.216936e-02
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
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30 3.108070e-01 7.312016e-01 6.509204e-01 6.711740e-01 6.372084e-01 6.380150e-01 6.034374e-01 6.177077e-01 6.113953e-01 4.218491e-01 4.901622e-01 -1.073545e-01 -2.525589e-01 -3.874076e-01 -3.892207e-01 -3.924504e-01 -4.611657e-01 -7.869138e-01 -5.861176e-01 -5.160440e-01 -4.670770e-01 -1.973842e-02 -1.557832e-01 4.695791e-01 7.282454e-01 6.107614e-01 8.853086e-01 9.027377e-01 7.343066e-01 1.000000e+00 8.601343e-01 5.080757e-01 2.346907e-01 3.479059e-01 5.524648e-01 4.964885e-01 1.183475e-01 1.811763e-01 3.012162e-02 -1.328869e-01 -2.602510e-01 -1.924566e-01 -3.027919e-01 -4.208280e-01 -2.729806e-01 -2.715118e-01 -5.517971e-01 -4.533389e-01 -4.115366e-01 -2.597132e-01 -8.435492e-02 -6.629729e-02 -1.398183e-01 -8.948324e-02 1.112168e-01 4.486844e-02 -5.081525e-02 7.900385e-02 1.397152e-01 -2.328367e-02 1.486300e-01 3.407872e-01 4.698321e-01 3.719909e-01 4.000911e-01 5.600508e-01 6.060984e-01 5.192252e-01 5.722587e-01 6.395689e-01 5.302506e-01 3.806890e-01 4.942202e-01 4.906363e-01 2.884865e-01 2.277404e-01 9.373318e-02 2.079448e-02 4.507687e-03 -4.965060e-02 1.630856e-01 3.117863e-01 2.920341e-01 4.047250e-01 3.618611e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
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32 1.575743e-01 2.611296e-01 5.998630e-01 5.400101e-01 3.029845e-01 1.661062e-01 8.945256e-02 1.481744e-01 3.633019e-01 6.550578e-01 4.370244e-01 5.121765e-01 3.744539e-01 2.681889e-01 1.766690e-01 2.636235e-01 2.234057e-01 -3.138027e-01 -2.670273e-02 -3.871583e-01 -4.530595e-01 -4.771451e-01 -1.174773e-01 -2.306940e-01 1.003242e-01 6.248999e-01 3.975278e-01 3.733549e-01 7.292365e-01 5.080757e-01 6.470220e-01 1.000000e+00 8.218683e-01 6.541930e-01 4.910238e-01 3.543850e-01 4.394669e-01 -1.150371e-02 -4.746805e-01 -5.214104e-01 -6.696928e-01 -5.843222e-01 -6.524644e-01 -6.440480e-01 -6.781075e-01 -5.872963e-01 -5.951874e-01 -6.481425e-01 -4.814492e-01 -6.607454e-01 -4.504965e-01 -5.614368e-01 -5.308297e-01 -4.930596e-01 -4.175222e-01 -4.096579e-01 -4.044179e-01 -3.128123e-01 -2.618211e-01 -3.217505e-01 -2.628913e-01 -1.237517e-01 -6.353564e-02 -1.170865e-01 -1.131421e-01 -4.030992e-02 -2.866501e-02 -1.540648e-01 -9.812047e-02 -1.005781e-02 -1.428024e-01 -2.768151e-01 -1.510841e-01 -1.499519e-01 -3.400114e-01 -4.067108e-01 -4.888086e-01 -5.241151e-01 -4.987454e-01 -5.205318e-01 -4.732370e-01 -3.296010e-01 -3.539717e-01 -1.894209e-01 -1.866583e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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diff changeset
33 3.261244e-03 -2.429279e-02 4.295673e-01 3.365307e-01 1.455293e-01 -2.333323e-02 4.853270e-02 1.151814e-01 3.146159e-01 5.278478e-01 3.965384e-01 7.088202e-01 6.667881e-01 5.629374e-01 4.618711e-01 5.469245e-01 4.903952e-01 -1.042815e-01 1.711632e-01 -4.221284e-01 -4.816654e-01 -6.767271e-01 -1.472086e-01 -5.289821e-01 -2.057781e-01 5.869720e-01 1.384199e-01 7.317065e-02 6.638944e-01 2.346907e-01 3.610346e-01 8.218683e-01 1.000000e+00 7.745352e-01 3.834622e-01 2.189424e-01 5.044933e-01 -9.162557e-02 -5.603115e-01 -4.269714e-01 -7.536826e-01 -7.751012e-01 -7.700862e-01 -6.956654e-01 -8.144301e-01 -7.536434e-01 -5.883082e-01 -6.842636e-01 -5.811658e-01 -7.983974e-01 -6.848397e-01 -7.678724e-01 -7.376144e-01 -7.264094e-01 -6.881779e-01 -7.041192e-01 -6.924985e-01 -6.186551e-01 -5.785993e-01 -5.373108e-01 -4.975437e-01 -3.711005e-01 -3.484231e-01 -4.248807e-01 -4.080646e-01 -3.324196e-01 -3.607209e-01 -4.644997e-01 -4.139133e-01 -3.245323e-01 -4.604237e-01 -5.656136e-01 -4.856175e-01 -4.855590e-01 -6.308089e-01 -6.802108e-01 -7.209036e-01 -7.335555e-01 -7.176903e-01 -6.976873e-01 -6.921024e-01 -5.861030e-01 -6.213656e-01 -4.849543e-01 -4.693864e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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diff changeset
34 -2.474522e-02 7.015759e-02 3.481632e-01 2.724470e-01 1.538636e-01 1.200061e-01 2.427371e-01 2.723695e-01 4.089335e-01 4.202023e-01 4.145242e-01 4.788533e-01 4.572662e-01 3.225763e-01 2.604801e-01 3.075166e-01 2.377015e-01 -3.013207e-01 -3.357947e-02 -5.112662e-01 -4.930279e-01 -4.579817e-01 -1.487373e-01 -3.592615e-01 -9.124828e-02 5.377006e-01 2.442851e-01 2.140698e-01 6.375331e-01 3.479059e-01 4.479385e-01 6.541930e-01 7.745352e-01 1.000000e+00 5.637573e-01 4.316465e-01 7.030598e-01 1.339468e-01 -3.482965e-01 -2.773135e-01 -6.042545e-01 -6.205028e-01 -6.607698e-01 -6.506006e-01 -6.967549e-01 -6.642118e-01 -6.231620e-01 -6.375615e-01 -5.548494e-01 -6.512985e-01 -5.412681e-01 -6.100487e-01 -6.017854e-01 -5.910554e-01 -5.137384e-01 -5.690018e-01 -5.814475e-01 -5.168939e-01 -4.779561e-01 -4.389141e-01 -2.951968e-01 -1.809119e-01 -1.660786e-01 -2.566216e-01 -2.262767e-01 -1.193459e-01 -1.454707e-01 -2.495769e-01 -2.336138e-01 -1.486856e-01 -2.547312e-01 -3.759133e-01 -3.334429e-01 -3.326941e-01 -4.505262e-01 -4.974099e-01 -5.290723e-01 -5.429567e-01 -5.089351e-01 -5.203498e-01 -4.544458e-01 -3.725755e-01 -4.206065e-01 -3.025651e-01 -2.677724e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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diff changeset
35 3.148077e-02 4.351170e-01 3.820664e-01 4.797889e-01 5.501424e-01 6.131507e-01 5.511988e-01 5.521352e-01 5.732453e-01 3.541808e-01 5.346154e-01 -1.637085e-02 -1.039468e-01 -1.726567e-01 -1.708123e-01 -2.328872e-01 -2.991286e-01 -6.042513e-01 -4.731208e-01 -5.567616e-01 -4.930900e-01 -1.918279e-01 -2.673431e-01 1.730012e-01 3.139981e-01 3.569653e-01 4.763034e-01 4.889127e-01 4.493491e-01 5.524648e-01 6.320832e-01 4.910238e-01 3.834622e-01 5.637573e-01 1.000000e+00 9.469065e-01 4.978374e-01 5.634900e-01 1.920781e-01 6.602430e-02 -1.836013e-01 -2.481647e-01 -3.322489e-01 -4.305841e-01 -3.446469e-01 -3.936967e-01 -6.110222e-01 -5.380407e-01 -5.462833e-01 -3.361222e-01 -1.835535e-01 -1.487721e-01 -1.963614e-01 -1.467035e-01 -2.188665e-02 -5.397356e-02 -8.717726e-02 6.061889e-02 1.164913e-01 8.414332e-02 1.717212e-01 3.548594e-01 4.125877e-01 3.118498e-01 3.415926e-01 4.252254e-01 4.525290e-01 3.422305e-01 3.394855e-01 3.974959e-01 3.451791e-01 2.135507e-01 2.651635e-01 2.663209e-01 1.325596e-01 7.863471e-02 -3.646035e-03 -5.209303e-02 -7.480759e-02 -1.576396e-01 -8.462455e-02 5.578807e-02 4.740655e-02 2.057708e-01 4.218043e-02
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
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36 2.067967e-02 4.286498e-01 2.892060e-01 3.866218e-01 5.169082e-01 6.230345e-01 5.418748e-01 5.221191e-01 5.078012e-01 2.300209e-01 4.680077e-01 -1.832051e-01 -2.685636e-01 -2.963350e-01 -2.776572e-01 -3.667380e-01 -4.274706e-01 -5.889703e-01 -5.350794e-01 -4.506506e-01 -3.842409e-01 -7.184628e-02 -2.892452e-01 2.575605e-01 3.250277e-01 2.143523e-01 4.094437e-01 4.472659e-01 2.757972e-01 4.964885e-01 5.660193e-01 3.543850e-01 2.189424e-01 4.316465e-01 9.469065e-01 1.000000e+00 4.990932e-01 7.072707e-01 3.439730e-01 1.898374e-01 -1.163644e-02 -8.345518e-02 -1.731560e-01 -2.868590e-01 -1.738212e-01 -2.506610e-01 -4.884274e-01 -3.931939e-01 -4.390225e-01 -1.785507e-01 -6.200090e-02 9.807792e-03 -3.698692e-02 1.657924e-02 1.153109e-01 9.618466e-02 7.846267e-02 2.182481e-01 2.692259e-01 2.503817e-01 2.953910e-01 4.438439e-01 4.889268e-01 4.116505e-01 4.340572e-01 4.960731e-01 5.354325e-01 4.477461e-01 4.310110e-01 4.730108e-01 4.514939e-01 3.285545e-01 3.645343e-01 3.674469e-01 2.755557e-01 2.276201e-01 1.358427e-01 9.012052e-02 6.109361e-02 -2.407155e-02 1.669018e-02 1.318935e-01 1.529481e-01 3.063524e-01 1.184374e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
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37 -1.405063e-01 -7.125822e-02 1.264175e-01 6.027375e-02 1.435519e-02 5.276099e-02 1.263856e-01 1.385659e-01 2.556275e-01 2.628436e-01 3.506019e-01 3.133831e-01 2.931476e-01 2.269076e-01 1.978978e-01 2.227302e-01 1.513300e-01 -1.610011e-01 -3.322501e-02 -2.810354e-01 -2.847069e-01 -3.337023e-01 -1.281089e-01 -3.304006e-01 -2.307925e-01 1.865748e-01 -3.270733e-02 -5.572092e-03 2.671818e-01 1.183475e-01 2.512754e-01 4.394669e-01 5.044933e-01 7.030598e-01 4.978374e-01 4.990932e-01 1.000000e+00 4.391890e-01 -1.969371e-01 -1.231474e-01 -4.089571e-01 -4.596466e-01 -4.503105e-01 -4.173057e-01 -4.713382e-01 -4.820653e-01 -4.646870e-01 -4.678211e-01 -4.127882e-01 -4.636850e-01 -3.954005e-01 -3.903242e-01 -3.723446e-01 -3.526273e-01 -3.284115e-01 -3.668590e-01 -3.462155e-01 -2.931182e-01 -2.667437e-01 -1.813769e-01 -7.757023e-02 -2.739462e-02 -9.167652e-02 -1.485125e-01 -1.256577e-01 -5.810588e-02 -7.702802e-02 -1.660256e-01 -1.808237e-01 -1.277447e-01 -1.907554e-01 -2.815945e-01 -2.486752e-01 -2.417625e-01 -3.012603e-01 -3.365750e-01 -3.515523e-01 -3.438793e-01 -3.290616e-01 -3.517267e-01 -3.945704e-01 -3.481314e-01 -3.310618e-01 -2.077085e-01 -2.020733e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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38 -1.317355e-01 2.734390e-01 5.628616e-02 1.348295e-01 3.641694e-01 5.564235e-01 4.559837e-01 4.187900e-01 3.129847e-01 5.641786e-02 3.935410e-01 -3.394443e-01 -3.805686e-01 -3.133186e-01 -3.013815e-01 -3.902400e-01 -4.484239e-01 -4.274321e-01 -5.202720e-01 -3.247207e-01 -2.304123e-01 1.050485e-01 -2.588500e-01 2.669006e-01 1.592647e-01 -1.346261e-01 1.022755e-01 1.522988e-01 -1.220664e-01 1.811763e-01 2.123802e-01 -1.150371e-02 -9.162557e-02 1.339468e-01 5.634900e-01 7.072707e-01 4.391890e-01 1.000000e+00 6.801542e-01 5.212209e-01 3.282800e-01 1.727618e-01 1.303902e-01 2.321717e-02 7.569550e-02 -6.534334e-02 -2.927001e-01 -1.854449e-01 -3.367596e-01 -2.102604e-02 -5.444767e-02 1.177659e-01 1.160708e-01 1.691769e-01 2.415343e-01 2.663724e-01 2.972388e-01 3.820559e-01 3.958591e-01 4.475631e-01 4.424842e-01 5.470601e-01 5.253502e-01 4.755093e-01 5.016107e-01 4.694630e-01 4.922782e-01 4.512001e-01 3.683472e-01 3.846080e-01 3.931490e-01 3.101177e-01 3.435980e-01 3.419340e-01 3.253145e-01 3.199947e-01 2.923955e-01 2.639754e-01 2.697464e-01 1.765438e-01 1.137989e-01 1.646058e-01 2.267073e-01 3.380179e-01 1.125576e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
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39 -8.014525e-02 2.656508e-01 -1.971422e-01 -2.712228e-02 2.931728e-01 4.883367e-01 3.810765e-01 3.203057e-01 9.073527e-02 -2.301310e-01 9.293436e-02 -6.516296e-01 -6.822593e-01 -5.615970e-01 -5.047009e-01 -6.193214e-01 -6.140025e-01 -2.814201e-01 -5.014460e-01 -8.282623e-02 2.336676e-02 4.340193e-01 -2.076231e-01 5.167772e-01 2.656360e-01 -4.140749e-01 2.212418e-02 1.174074e-01 -4.053099e-01 3.012162e-02 -2.125652e-02 -4.746805e-01 -5.603115e-01 -3.482965e-01 1.920781e-01 3.439730e-01 -1.969371e-01 6.801542e-01 1.000000e+00 7.676677e-01 7.565957e-01 6.034601e-01 5.912096e-01 4.707624e-01 5.415967e-01 3.636365e-01 1.138676e-01 2.488799e-01 1.643391e-02 4.167428e-01 3.020287e-01 4.953416e-01 4.785406e-01 5.086732e-01 5.415181e-01 5.878016e-01 5.901271e-01 6.244920e-01 6.139987e-01 6.140016e-01 5.877968e-01 6.575463e-01 6.316889e-01 6.215801e-01 6.432596e-01 5.681095e-01 5.896280e-01 6.177005e-01 5.361352e-01 4.984040e-01 5.752373e-01 5.686620e-01 5.388212e-01 5.321155e-01 5.850181e-01 6.171739e-01 6.103063e-01 5.870172e-01 5.722898e-01 5.067937e-01 4.873593e-01 4.898024e-01 5.291820e-01 5.319771e-01 3.290460e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
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40 -2.964913e-01 9.329671e-02 -3.282608e-01 -2.165775e-01 1.992365e-01 3.787273e-01 4.639953e-01 3.949235e-01 1.311740e-01 -4.181934e-01 7.665387e-02 -5.476926e-01 -4.645787e-01 -3.429197e-01 -2.918692e-01 -4.067377e-01 -4.525690e-01 -1.340348e-01 -4.590188e-01 -1.768874e-01 -4.625275e-02 2.181697e-01 -3.081225e-01 2.582075e-01 2.009967e-02 -3.987113e-01 -1.204014e-01 -2.852514e-02 -3.902329e-01 -1.328869e-01 -1.708248e-01 -5.214104e-01 -4.269714e-01 -2.773135e-01 6.602430e-02 1.898374e-01 -1.231474e-01 5.212209e-01 7.676677e-01 1.000000e+00 6.316849e-01 3.504938e-01 4.449867e-01 4.058106e-01 3.791031e-01 1.951129e-01 6.194027e-02 1.395489e-01 -1.202060e-01 2.791402e-01 1.682141e-01 3.257860e-01 2.862704e-01 2.964887e-01 2.922285e-01 3.001581e-01 2.611066e-01 3.037721e-01 3.107184e-01 3.418385e-01 3.500111e-01 4.033162e-01 3.866752e-01 3.361395e-01 3.621912e-01 3.144775e-01 3.069113e-01 3.638596e-01 2.995211e-01 2.774851e-01 3.344276e-01 3.294287e-01 2.296194e-01 2.234912e-01 3.355736e-01 3.466325e-01 3.403579e-01 3.409470e-01 3.705292e-01 3.266932e-01 2.913892e-01 2.338775e-01 2.807402e-01 2.558240e-01 3.617804e-02
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
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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
42 9.711051e-02 3.650479e-02 -3.952517e-01 -2.317270e-01 -9.162315e-02 6.587543e-02 -1.215298e-01 -2.016956e-01 -3.794817e-01 -3.886790e-01 -3.828473e-01 -7.183911e-01 -7.319177e-01 -6.182165e-01 -5.238125e-01 -6.154276e-01 -5.685281e-01 5.939597e-02 -2.074890e-01 4.020779e-01 4.598900e-01 6.964493e-01 8.599708e-02 5.245318e-01 2.274897e-01 -5.692936e-01 -1.272387e-01 -3.875849e-02 -6.063731e-01 -1.924566e-01 -2.028090e-01 -5.843222e-01 -7.751012e-01 -6.205028e-01 -2.481647e-01 -8.345518e-02 -4.596466e-01 1.727618e-01 6.034601e-01 3.504938e-01 9.011063e-01 1.000000e+00 9.208212e-01 7.701932e-01 9.119244e-01 8.466685e-01 6.458195e-01 7.605426e-01 6.650737e-01 8.473924e-01 7.359223e-01 8.195474e-01 8.568303e-01 8.644907e-01 7.916371e-01 8.596048e-01 8.816105e-01 7.958644e-01 7.334256e-01 7.097015e-01 5.875880e-01 4.571407e-01 4.569327e-01 5.966529e-01 5.581331e-01 4.141407e-01 4.225457e-01 5.372925e-01 4.720830e-01 3.571194e-01 5.289727e-01 6.199910e-01 5.711890e-01 5.703966e-01 7.032189e-01 7.448430e-01 7.778617e-01 7.926018e-01 7.500995e-01 7.139770e-01 6.920094e-01 6.043180e-01 6.510527e-01 5.458681e-01 5.513016e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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diff changeset
43 -1.697372e-02 -7.676487e-02 -4.642939e-01 -3.199633e-01 -1.977485e-01 -3.944721e-02 -1.233331e-01 -1.980143e-01 -3.586168e-01 -3.985641e-01 -3.594035e-01 -6.627650e-01 -6.513475e-01 -5.151162e-01 -4.144182e-01 -5.189614e-01 -4.891272e-01 1.760333e-01 -1.316686e-01 3.534569e-01 4.276751e-01 6.100881e-01 2.695677e-02 4.067252e-01 8.473547e-02 -6.348543e-01 -2.455376e-01 -1.352188e-01 -6.158251e-01 -3.027919e-01 -2.865426e-01 -6.524644e-01 -7.700862e-01 -6.607698e-01 -3.322489e-01 -1.731560e-01 -4.503105e-01 1.303902e-01 5.912096e-01 4.449867e-01 9.167489e-01 9.208212e-01 1.000000e+00 9.396982e-01 9.152033e-01 7.951158e-01 7.073037e-01 7.935811e-01 6.463623e-01 8.058014e-01 6.595203e-01 7.544337e-01 7.828575e-01 7.833458e-01 6.826999e-01 7.489142e-01 7.776104e-01 6.613872e-01 5.938767e-01 5.928960e-01 4.925278e-01 3.755676e-01 3.294997e-01 4.615774e-01 4.289309e-01 2.975270e-01 2.997420e-01 4.270047e-01 3.476586e-01 2.549867e-01 4.082458e-01 5.053540e-01 4.395602e-01 4.398211e-01 5.795115e-01 6.204773e-01 6.759328e-01 7.009812e-01 6.851828e-01 6.460786e-01 5.918906e-01 4.973682e-01 5.457861e-01 4.380827e-01 4.770550e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
44 -1.095197e-01 -1.944280e-01 -4.943618e-01 -3.855311e-01 -3.034878e-01 -1.728040e-01 -1.864867e-01 -2.502334e-01 -3.639015e-01 -3.901286e-01 -3.539309e-01 -5.359242e-01 -4.904911e-01 -3.364074e-01 -2.439550e-01 -3.479028e-01 -3.196181e-01 3.404329e-01 3.070994e-02 3.423302e-01 4.102858e-01 4.829526e-01 1.163809e-02 2.273976e-01 -8.479305e-02 -6.454264e-01 -3.697242e-01 -2.685102e-01 -6.079648e-01 -4.208280e-01 -3.924968e-01 -6.440480e-01 -6.956654e-01 -6.506006e-01 -4.305841e-01 -2.868590e-01 -4.173057e-01 2.321717e-02 4.707624e-01 4.058106e-01 8.234951e-01 7.701932e-01 9.396982e-01 1.000000e+00 8.348965e-01 7.063922e-01 7.573099e-01 7.931855e-01 6.410973e-01 7.188501e-01 5.644982e-01 6.242253e-01 6.465258e-01 6.341234e-01 5.096243e-01 5.732377e-01 6.205971e-01 4.783999e-01 4.093290e-01 4.183432e-01 3.322310e-01 2.155284e-01 1.431529e-01 2.634981e-01 2.310647e-01 1.174894e-01 1.156420e-01 2.309042e-01 1.597646e-01 8.710858e-02 2.123677e-01 3.145576e-01 2.576552e-01 2.564397e-01 3.921633e-01 4.387302e-01 5.170006e-01 5.510807e-01 5.721126e-01 5.521716e-01 4.389530e-01 3.269693e-01 3.738468e-01 2.800385e-01 3.467639e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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diff changeset
45 3.564844e-02 -4.839026e-02 -4.584169e-01 -2.802224e-01 -1.516273e-01 -2.084124e-02 -1.403445e-01 -2.200933e-01 -4.123917e-01 -4.958066e-01 -4.492583e-01 -7.045185e-01 -6.911369e-01 -5.639760e-01 -4.446650e-01 -5.564573e-01 -5.126042e-01 1.759353e-01 -1.488610e-01 4.587806e-01 4.757856e-01 6.127797e-01 3.411192e-02 4.358017e-01 1.308943e-01 -5.989257e-01 -1.956813e-01 -9.728057e-02 -6.608953e-01 -2.729806e-01 -3.229144e-01 -6.781075e-01 -8.144301e-01 -6.967549e-01 -3.446469e-01 -1.738212e-01 -4.713382e-01 7.569550e-02 5.415967e-01 3.791031e-01 8.542285e-01 9.119244e-01 9.152033e-01 8.348965e-01 1.000000e+00 9.380962e-01 7.545632e-01 8.665925e-01 7.452823e-01 9.257539e-01 7.750036e-01 8.483793e-01 8.748328e-01 8.637178e-01 7.484969e-01 7.977285e-01 7.990588e-01 7.144048e-01 6.687993e-01 6.224094e-01 5.343683e-01 3.944821e-01 3.873298e-01 4.960651e-01 4.610553e-01 3.399163e-01 3.467610e-01 4.846861e-01 4.260131e-01 3.093424e-01 4.841276e-01 5.890421e-01 5.025816e-01 5.084136e-01 6.493001e-01 6.820129e-01 7.011216e-01 7.253441e-01 6.770396e-01 6.311734e-01 6.128581e-01 5.343261e-01 5.753029e-01 4.592875e-01 4.825747e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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diff changeset
46 8.265130e-02 -7.067710e-02 -4.168522e-01 -2.438678e-01 -1.918258e-01 -9.822557e-02 -2.667595e-01 -3.421400e-01 -4.884125e-01 -4.862679e-01 -5.249965e-01 -6.241821e-01 -6.125133e-01 -5.091775e-01 -3.922630e-01 -4.706503e-01 -4.166647e-01 2.522856e-01 -4.021856e-02 5.596757e-01 5.288558e-01 5.805471e-01 1.362273e-01 3.908234e-01 1.337281e-01 -5.262202e-01 -1.751852e-01 -1.098726e-01 -6.245529e-01 -2.715118e-01 -3.503248e-01 -5.872963e-01 -7.536434e-01 -6.642118e-01 -3.936967e-01 -2.506610e-01 -4.820653e-01 -6.534334e-02 3.636365e-01 1.951129e-01 7.088355e-01 8.466685e-01 7.951158e-01 7.063922e-01 9.380962e-01 1.000000e+00 8.133071e-01 9.082352e-01 8.319450e-01 9.132267e-01 8.067709e-01 8.088445e-01 8.460473e-01 8.243996e-01 6.896748e-01 7.525557e-01 7.589599e-01 6.693455e-01 6.265809e-01 5.681928e-01 4.769674e-01 2.954572e-01 3.089450e-01 4.286533e-01 3.796031e-01 2.538767e-01 2.613125e-01 4.059747e-01 3.755256e-01 2.452067e-01 4.215066e-01 5.302957e-01 4.489337e-01 4.607541e-01 5.782734e-01 6.123730e-01 6.250441e-01 6.453349e-01 5.922077e-01 5.643316e-01 5.525248e-01 4.936580e-01 5.187999e-01 3.926818e-01 4.423651e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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diff changeset
47 -7.653294e-02 -3.634534e-01 -4.692014e-01 -3.745322e-01 -4.204810e-01 -4.066813e-01 -4.655768e-01 -5.150234e-01 -5.323278e-01 -4.068777e-01 -5.364185e-01 -3.434497e-01 -2.684779e-01 -1.550404e-01 -5.692128e-02 -1.025244e-01 -4.066127e-02 6.273255e-01 3.191140e-01 5.717807e-01 5.101361e-01 3.395184e-01 1.626326e-01 2.694552e-02 -2.212560e-01 -5.830041e-01 -4.817421e-01 -4.335143e-01 -6.467649e-01 -5.517971e-01 -5.780359e-01 -5.951874e-01 -5.883082e-01 -6.231620e-01 -6.110222e-01 -4.884274e-01 -4.646870e-01 -2.927001e-01 1.138676e-01 6.194027e-02 5.612053e-01 6.458195e-01 7.073037e-01 7.573099e-01 7.545632e-01 8.133071e-01 1.000000e+00 9.590555e-01 8.285976e-01 7.276707e-01 5.646274e-01 5.306030e-01 5.875788e-01 5.461257e-01 3.529540e-01 4.330822e-01 4.880105e-01 3.300967e-01 2.629417e-01 2.505834e-01 1.147328e-01 -9.394560e-02 -1.269586e-01 -3.321255e-03 -5.713660e-02 -1.530297e-01 -1.629260e-01 -3.244834e-02 -5.759965e-02 -1.626441e-01 -2.429771e-02 1.093275e-01 4.095966e-02 4.980465e-02 2.018674e-01 2.600119e-01 3.461123e-01 3.946048e-01 3.678351e-01 3.895064e-01 2.893938e-01 1.349767e-01 1.556266e-01 1.376285e-02 1.587508e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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diff changeset
48 -1.418297e-02 -2.494123e-01 -4.914186e-01 -3.575696e-01 -3.458297e-01 -2.977160e-01 -3.842889e-01 -4.441361e-01 -5.211225e-01 -4.659025e-01 -5.376639e-01 -4.946690e-01 -4.333133e-01 -3.180872e-01 -1.976733e-01 -2.737841e-01 -2.236498e-01 4.821979e-01 1.648787e-01 5.730363e-01 5.359089e-01 4.672347e-01 1.604765e-01 1.775821e-01 -8.547787e-02 -5.833277e-01 -3.744396e-01 -3.175933e-01 -6.575209e-01 -4.533389e-01 -5.079205e-01 -6.481425e-01 -6.842636e-01 -6.375615e-01 -5.380407e-01 -3.931939e-01 -4.678211e-01 -1.854449e-01 2.488799e-01 1.395489e-01 6.611877e-01 7.605426e-01 7.935811e-01 7.931855e-01 8.665925e-01 9.082352e-01 9.590555e-01 1.000000e+00 8.643569e-01 8.430423e-01 6.924347e-01 6.823652e-01 7.252435e-01 6.886885e-01 5.166842e-01 5.860353e-01 6.178765e-01 4.819987e-01 4.233411e-01 3.893187e-01 2.684406e-01 6.941552e-02 5.622187e-02 1.865059e-01 1.339161e-01 1.814872e-02 2.633007e-02 1.701196e-01 1.318638e-01 1.696385e-02 1.769935e-01 3.095883e-01 2.267962e-01 2.381280e-01 3.805304e-01 4.327054e-01 4.880845e-01 5.277684e-01 4.898871e-01 4.897923e-01 4.329766e-01 3.098094e-01 3.381015e-01 1.804343e-01 2.980973e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
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49 2.034374e-01 -2.586472e-01 -4.450521e-01 -4.124764e-01 -5.085395e-01 -4.738315e-01 -5.912233e-01 -6.560855e-01 -6.952729e-01 -4.624227e-01 -7.083676e-01 -3.801507e-01 -3.365614e-01 -2.571034e-01 -1.554433e-01 -1.877409e-01 -1.286967e-01 4.369035e-01 2.506243e-01 6.888416e-01 6.497017e-01 5.129408e-01 3.176951e-01 1.573094e-01 -4.682517e-02 -4.623271e-01 -3.025797e-01 -2.647548e-01 -5.567294e-01 -4.115366e-01 -4.204693e-01 -4.814492e-01 -5.811658e-01 -5.548494e-01 -5.462833e-01 -4.390225e-01 -4.127882e-01 -3.367596e-01 1.643391e-02 -1.202060e-01 4.831011e-01 6.650737e-01 6.463623e-01 6.410973e-01 7.452823e-01 8.319450e-01 8.285976e-01 8.643569e-01 1.000000e+00 8.028170e-01 7.378318e-01 6.545477e-01 6.936700e-01 6.569908e-01 5.063864e-01 5.426675e-01 5.625348e-01 4.389293e-01 3.835906e-01 3.677266e-01 2.638984e-01 2.674994e-03 -2.088448e-02 1.658299e-01 9.684633e-02 -5.132543e-02 -4.275843e-02 9.922702e-02 8.334645e-02 -2.191173e-02 1.305588e-01 2.716103e-01 2.004560e-01 2.107692e-01 3.619628e-01 3.882013e-01 4.290717e-01 4.631145e-01 4.136695e-01 4.419243e-01 3.956910e-01 2.987216e-01 3.236408e-01 1.840272e-01 3.504779e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
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50 7.059508e-02 -5.340088e-02 -4.823704e-01 -3.425212e-01 -2.095384e-01 -7.315018e-02 -1.763338e-01 -2.555608e-01 -4.498810e-01 -5.884368e-01 -5.349196e-01 -7.418310e-01 -6.937694e-01 -6.020716e-01 -4.726044e-01 -5.654564e-01 -5.172705e-01 1.704442e-01 -1.526676e-01 5.261147e-01 5.567887e-01 6.650916e-01 1.370590e-01 4.446471e-01 1.423055e-01 -5.656209e-01 -1.646479e-01 -8.209496e-02 -6.694013e-01 -2.597132e-01 -3.365562e-01 -6.607454e-01 -7.983974e-01 -6.512985e-01 -3.361222e-01 -1.785507e-01 -4.636850e-01 -2.102604e-02 4.167428e-01 2.791402e-01 7.441178e-01 8.473924e-01 8.058014e-01 7.188501e-01 9.257539e-01 9.132267e-01 7.276707e-01 8.430423e-01 8.028170e-01 1.000000e+00 8.702304e-01 9.076530e-01 9.140505e-01 8.875956e-01 7.759178e-01 7.957140e-01 7.599497e-01 6.916123e-01 6.528672e-01 5.958146e-01 5.280753e-01 3.563400e-01 3.603226e-01 4.726305e-01 4.372611e-01 3.181805e-01 3.337611e-01 4.647218e-01 4.176935e-01 3.032713e-01 4.848369e-01 6.025582e-01 4.932434e-01 5.001605e-01 6.748177e-01 6.966099e-01 7.059611e-01 7.295432e-01 6.962246e-01 6.674224e-01 6.496563e-01 5.563578e-01 6.059078e-01 4.555297e-01 4.771593e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
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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
52 1.701717e-01 1.073711e-01 -4.343635e-01 -2.900602e-01 -7.310739e-02 9.714974e-02 -3.500939e-02 -1.204717e-01 -3.478507e-01 -5.553449e-01 -4.430130e-01 -8.128899e-01 -7.980628e-01 -7.392475e-01 -6.218328e-01 -7.174321e-01 -6.729403e-01 -7.535059e-02 -3.349116e-01 4.330064e-01 5.111480e-01 7.469610e-01 1.321224e-01 6.184897e-01 3.314566e-01 -5.027854e-01 3.654551e-03 9.686475e-02 -5.737512e-01 -6.629729e-02 -1.589529e-01 -5.614368e-01 -7.678724e-01 -6.100487e-01 -1.487721e-01 9.807792e-03 -3.903242e-01 1.177659e-01 4.953416e-01 3.257860e-01 7.331054e-01 8.195474e-01 7.544337e-01 6.242253e-01 8.483793e-01 8.088445e-01 5.306030e-01 6.823652e-01 6.545477e-01 9.076530e-01 9.161718e-01 1.000000e+00 9.444491e-01 9.434120e-01 9.160785e-01 8.974787e-01 8.241867e-01 7.861679e-01 7.571197e-01 7.003592e-01 6.348494e-01 5.059569e-01 5.378807e-01 6.676940e-01 6.278071e-01 4.754534e-01 5.428297e-01 6.597609e-01 5.984956e-01 4.882358e-01 6.658025e-01 7.532940e-01 6.740111e-01 6.784368e-01 8.152683e-01 8.270814e-01 8.240723e-01 8.260074e-01 7.992943e-01 7.675041e-01 7.771229e-01 7.223521e-01 7.712760e-01 6.312655e-01 6.047992e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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diff changeset
53 1.459027e-01 3.625578e-02 -4.121588e-01 -2.651825e-01 -8.909510e-02 4.726615e-02 -1.307224e-01 -2.108255e-01 -3.924685e-01 -4.660522e-01 -4.327401e-01 -7.542497e-01 -7.445777e-01 -6.618839e-01 -5.406523e-01 -6.412519e-01 -5.976799e-01 1.073979e-02 -2.651544e-01 4.501650e-01 5.122406e-01 7.027271e-01 1.122713e-01 5.494190e-01 2.696772e-01 -5.046420e-01 -6.890242e-02 2.938721e-02 -6.014363e-01 -1.398183e-01 -2.011729e-01 -5.308297e-01 -7.376144e-01 -6.017854e-01 -1.963614e-01 -3.698692e-02 -3.723446e-01 1.160708e-01 4.785406e-01 2.862704e-01 7.600572e-01 8.568303e-01 7.828575e-01 6.465258e-01 8.748328e-01 8.460473e-01 5.875788e-01 7.252435e-01 6.936700e-01 9.140505e-01 8.749001e-01 9.444491e-01 1.000000e+00 9.911335e-01 8.801430e-01 9.105646e-01 8.719591e-01 8.112784e-01 7.685796e-01 7.029978e-01 6.162081e-01 4.774922e-01 4.945055e-01 6.328858e-01 5.896339e-01 4.361700e-01 4.743438e-01 5.956730e-01 5.217765e-01 4.044039e-01 5.913808e-01 6.787507e-01 6.046335e-01 6.100440e-01 7.560758e-01 7.740094e-01 7.804109e-01 7.977289e-01 7.519129e-01 7.196333e-01 7.071345e-01 6.202442e-01 6.858610e-01 5.545504e-01 5.425960e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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diff changeset
54 1.503092e-01 8.704194e-02 -3.766398e-01 -2.370654e-01 -5.622240e-02 9.403306e-02 -9.800681e-02 -1.804321e-01 -3.646656e-01 -4.356228e-01 -4.005799e-01 -7.641012e-01 -7.738769e-01 -6.892217e-01 -5.720718e-01 -6.756896e-01 -6.368232e-01 -4.690035e-02 -3.053094e-01 4.132948e-01 4.880839e-01 7.186192e-01 9.156940e-02 5.973430e-01 3.126025e-01 -5.034780e-01 -3.287356e-02 7.840545e-02 -5.747648e-01 -8.948324e-02 -1.389085e-01 -4.930596e-01 -7.264094e-01 -5.910554e-01 -1.467035e-01 1.657924e-02 -3.526273e-01 1.691769e-01 5.086732e-01 2.964887e-01 7.679009e-01 8.644907e-01 7.833458e-01 6.341234e-01 8.637178e-01 8.243996e-01 5.461257e-01 6.886885e-01 6.569908e-01 8.875956e-01 8.619611e-01 9.434120e-01 9.911335e-01 1.000000e+00 9.161805e-01 9.414832e-01 9.035221e-01 8.517564e-01 8.087216e-01 7.472844e-01 6.625936e-01 5.354135e-01 5.472203e-01 6.834684e-01 6.441000e-01 4.913768e-01 5.288594e-01 6.410595e-01 5.696420e-01 4.541122e-01 6.366321e-01 7.144309e-01 6.513484e-01 6.559600e-01 7.913246e-01 8.055022e-01 8.061438e-01 8.183446e-01 7.733487e-01 7.274686e-01 7.225419e-01 6.431184e-01 7.101676e-01 6.044618e-01 5.685804e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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diff changeset
55 1.931944e-01 2.570467e-01 -2.791060e-01 -1.475499e-01 6.011751e-02 2.564165e-01 8.147184e-02 3.603353e-03 -2.040979e-01 -3.767469e-01 -2.668669e-01 -7.796941e-01 -8.082693e-01 -7.693772e-01 -6.781682e-01 -7.570465e-01 -7.296677e-01 -2.653152e-01 -4.493560e-01 2.776534e-01 3.867175e-01 7.355737e-01 9.960055e-02 7.282507e-01 4.558895e-01 -4.184652e-01 1.430739e-01 2.501020e-01 -4.357716e-01 1.112168e-01 3.822020e-02 -4.175222e-01 -6.881779e-01 -5.137384e-01 -2.188665e-02 1.153109e-01 -3.284115e-01 2.415343e-01 5.415181e-01 2.922285e-01 6.958451e-01 7.916371e-01 6.826999e-01 5.096243e-01 7.484969e-01 6.896748e-01 3.529540e-01 5.166842e-01 5.063864e-01 7.759178e-01 8.094245e-01 9.160785e-01 8.801430e-01 9.161805e-01 1.000000e+00 9.536856e-01 8.689931e-01 8.463753e-01 8.127156e-01 7.510710e-01 7.160958e-01 6.338174e-01 6.534232e-01 7.636098e-01 7.368295e-01 6.153005e-01 6.576617e-01 7.480109e-01 7.019793e-01 6.061060e-01 7.502747e-01 8.001966e-01 7.705916e-01 7.701371e-01 8.606314e-01 8.621836e-01 8.414381e-01 8.319888e-01 7.996228e-01 7.446098e-01 7.780114e-01 7.407689e-01 7.900559e-01 7.192643e-01 6.406140e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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diff changeset
56 1.748214e-01 2.212457e-01 -2.657415e-01 -1.096040e-01 9.671101e-02 2.550923e-01 2.533564e-02 -5.300793e-02 -2.491185e-01 -3.281339e-01 -2.621113e-01 -7.773261e-01 -8.167876e-01 -7.630943e-01 -6.594815e-01 -7.510357e-01 -7.117022e-01 -1.892348e-01 -4.084988e-01 3.111581e-01 3.963903e-01 7.321096e-01 8.712542e-02 7.096223e-01 4.470451e-01 -4.369117e-01 9.926012e-02 2.014257e-01 -4.854337e-01 4.486844e-02 -1.456094e-02 -4.096579e-01 -7.041192e-01 -5.690018e-01 -5.397356e-02 9.618466e-02 -3.668590e-01 2.663724e-01 5.878016e-01 3.001581e-01 7.606459e-01 8.596048e-01 7.489142e-01 5.732377e-01 7.977285e-01 7.525557e-01 4.330822e-01 5.860353e-01 5.426675e-01 7.957140e-01 8.050545e-01 8.974787e-01 9.105646e-01 9.414832e-01 9.536856e-01 1.000000e+00 9.567334e-01 9.250702e-01 8.893923e-01 8.077266e-01 7.185237e-01 6.286866e-01 6.649864e-01 7.825836e-01 7.466641e-01 6.003148e-01 6.426218e-01 7.311115e-01 6.764532e-01 5.727765e-01 7.294105e-01 7.878344e-01 7.653877e-01 7.676846e-01 8.514377e-01 8.615771e-01 8.496240e-01 8.468473e-01 7.997584e-01 7.410078e-01 7.524165e-01 7.176751e-01 7.822072e-01 7.179048e-01 6.392886e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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diff changeset
57 1.308742e-01 1.451246e-01 -2.381541e-01 -1.061865e-01 4.673828e-02 1.899416e-01 -7.390134e-02 -1.444919e-01 -3.043270e-01 -2.730193e-01 -2.605824e-01 -7.098246e-01 -7.678438e-01 -6.842723e-01 -5.841753e-01 -6.792719e-01 -6.330952e-01 -7.746994e-02 -3.002302e-01 3.504366e-01 4.186793e-01 7.084830e-01 1.041562e-01 6.254564e-01 3.755872e-01 -4.687149e-01 1.038117e-02 1.004308e-01 -5.203942e-01 -5.081525e-02 -6.941974e-02 -4.044179e-01 -6.924985e-01 -5.814475e-01 -8.717726e-02 7.846267e-02 -3.462155e-01 2.972388e-01 5.901271e-01 2.611066e-01 7.750197e-01 8.816105e-01 7.776104e-01 6.205971e-01 7.990588e-01 7.589599e-01 4.880105e-01 6.178765e-01 5.625348e-01 7.599497e-01 7.383583e-01 8.241867e-01 8.719591e-01 9.035221e-01 8.689931e-01 9.567334e-01 1.000000e+00 9.384789e-01 8.839521e-01 8.433506e-01 7.191733e-01 6.176532e-01 6.161027e-01 7.370014e-01 7.064274e-01 5.429820e-01 5.650025e-01 6.374927e-01 5.759596e-01 4.690653e-01 6.310823e-01 6.964296e-01 6.896562e-01 6.914311e-01 7.747957e-01 7.962127e-01 8.146955e-01 8.194602e-01 7.808475e-01 7.049545e-01 6.752727e-01 6.393627e-01 7.156215e-01 6.727983e-01 5.885057e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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diff changeset
58 1.890640e-01 2.787797e-01 -1.414884e-01 -1.377815e-02 1.862716e-01 3.229328e-01 5.204683e-02 -2.604467e-02 -2.003344e-01 -2.577659e-01 -1.984996e-01 -7.138950e-01 -7.959875e-01 -7.173111e-01 -6.347955e-01 -7.343125e-01 -6.943663e-01 -2.111394e-01 -4.396566e-01 2.568830e-01 3.234523e-01 6.780579e-01 6.766576e-02 6.909882e-01 4.768371e-01 -3.723206e-01 1.316532e-01 2.116522e-01 -4.217946e-01 7.900385e-02 3.728259e-02 -3.128123e-01 -6.186551e-01 -5.168939e-01 6.061889e-02 2.182481e-01 -2.931182e-01 3.820559e-01 6.244920e-01 3.037721e-01 6.997245e-01 7.958644e-01 6.613872e-01 4.783999e-01 7.144048e-01 6.693455e-01 3.300967e-01 4.819987e-01 4.389293e-01 6.916123e-01 6.899428e-01 7.861679e-01 8.112784e-01 8.517564e-01 8.463753e-01 9.250702e-01 9.384789e-01 1.000000e+00 9.830654e-01 9.128256e-01 7.842977e-01 7.060021e-01 7.238475e-01 8.014087e-01 7.930074e-01 6.281001e-01 6.523799e-01 7.105948e-01 6.757014e-01 5.677524e-01 7.258375e-01 7.664747e-01 7.560631e-01 7.605879e-01 8.330391e-01 8.260501e-01 8.016269e-01 7.966020e-01 7.308018e-01 6.444178e-01 6.537869e-01 6.587413e-01 7.406277e-01 7.219463e-01 5.778499e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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diff changeset
59 1.915827e-01 3.283781e-01 -1.061182e-01 3.077314e-02 2.530364e-01 3.770823e-01 1.179408e-01 3.729437e-02 -1.472014e-01 -2.430974e-01 -1.654583e-01 -6.972134e-01 -7.800963e-01 -7.199225e-01 -6.380037e-01 -7.403212e-01 -7.066731e-01 -2.708025e-01 -4.904849e-01 2.106596e-01 2.697681e-01 6.315121e-01 5.103459e-02 6.901262e-01 5.051449e-01 -3.098503e-01 1.891019e-01 2.617081e-01 -3.657289e-01 1.397152e-01 8.687817e-02 -2.618211e-01 -5.785993e-01 -4.779561e-01 1.164913e-01 2.692259e-01 -2.667437e-01 3.958591e-01 6.139987e-01 3.107184e-01 6.476954e-01 7.334256e-01 5.938767e-01 4.093290e-01 6.687993e-01 6.265809e-01 2.629417e-01 4.233411e-01 3.835906e-01 6.528672e-01 6.581136e-01 7.571197e-01 7.685796e-01 8.087216e-01 8.127156e-01 8.893923e-01 8.839521e-01 9.830654e-01 1.000000e+00 8.891159e-01 7.666888e-01 7.021679e-01 7.424060e-01 8.043995e-01 8.012843e-01 6.510189e-01 6.748273e-01 7.261668e-01 7.008819e-01 5.989308e-01 7.499741e-01 7.814129e-01 7.661539e-01 7.706789e-01 8.321185e-01 8.149102e-01 7.737806e-01 7.642752e-01 6.899779e-01 5.944815e-01 6.250507e-01 6.472444e-01 7.320795e-01 7.235961e-01 5.620948e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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diff changeset
60 1.601499e-01 1.980669e-01 -2.126533e-01 -1.533601e-01 5.094639e-02 2.290071e-01 2.152918e-03 -7.821964e-02 -2.643575e-01 -3.318513e-01 -2.590461e-01 -6.560107e-01 -7.099788e-01 -6.301308e-01 -5.717737e-01 -6.465646e-01 -6.135549e-01 -1.931903e-01 -4.039061e-01 2.963383e-01 3.462694e-01 6.264265e-01 7.596657e-02 6.055911e-01 4.005376e-01 -3.665464e-01 4.236592e-02 9.864975e-02 -4.614917e-01 -2.328367e-02 -1.167904e-02 -3.217505e-01 -5.373108e-01 -4.389141e-01 8.414332e-02 2.503817e-01 -1.813769e-01 4.475631e-01 6.140016e-01 3.418385e-01 6.405676e-01 7.097015e-01 5.928960e-01 4.183432e-01 6.224094e-01 5.681928e-01 2.505834e-01 3.893187e-01 3.677266e-01 5.958146e-01 5.933065e-01 7.003592e-01 7.029978e-01 7.472844e-01 7.510710e-01 8.077266e-01 8.433506e-01 9.128256e-01 8.891159e-01 1.000000e+00 8.720887e-01 7.521170e-01 6.915670e-01 7.643518e-01 7.700117e-01 5.625645e-01 5.757484e-01 6.340239e-01 5.980484e-01 4.867354e-01 6.473455e-01 6.816764e-01 6.484027e-01 6.563835e-01 7.383501e-01 7.209692e-01 6.890221e-01 6.862904e-01 6.121292e-01 5.279860e-01 5.262892e-01 5.597894e-01 6.420694e-01 6.342125e-01 4.596908e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
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62 8.456060e-02 4.746304e-01 4.931289e-02 1.403118e-01 3.204695e-01 5.430535e-01 3.792010e-01 3.345419e-01 1.449929e-01 -1.419783e-01 1.073526e-01 -5.864583e-01 -7.007012e-01 -7.056248e-01 -6.844241e-01 -7.266235e-01 -7.320588e-01 -5.333989e-01 -6.306089e-01 -7.476423e-02 4.549035e-03 4.726769e-01 -1.888843e-01 6.788585e-01 5.373292e-01 -1.745917e-01 3.382911e-01 4.471449e-01 -1.251387e-01 3.407872e-01 3.199426e-01 -1.237517e-01 -3.711005e-01 -1.809119e-01 3.548594e-01 4.438439e-01 -2.739462e-02 5.470601e-01 6.575463e-01 4.033162e-01 4.548032e-01 4.571407e-01 3.755676e-01 2.155284e-01 3.944821e-01 2.954572e-01 -9.394560e-02 6.941552e-02 2.674994e-03 3.563400e-01 3.849018e-01 5.059569e-01 4.774922e-01 5.354135e-01 6.338174e-01 6.286866e-01 6.176532e-01 7.060021e-01 7.021679e-01 7.521170e-01 8.880689e-01 1.000000e+00 9.217229e-01 8.325598e-01 8.982220e-01 8.403749e-01 8.170011e-01 7.866718e-01 7.522143e-01 7.137529e-01 7.812923e-01 7.192759e-01 7.140083e-01 7.114114e-01 6.942121e-01 6.596315e-01 5.665233e-01 5.337509e-01 4.958602e-01 3.623348e-01 4.595499e-01 5.618693e-01 6.206159e-01 6.878787e-01 4.278824e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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63 1.267518e-01 6.113838e-01 1.258333e-01 2.938291e-01 5.257901e-01 6.971660e-01 4.852978e-01 4.384560e-01 2.270411e-01 -1.008157e-01 1.627300e-01 -6.319345e-01 -7.394406e-01 -7.751638e-01 -7.263807e-01 -7.867568e-01 -7.946001e-01 -6.045748e-01 -7.240340e-01 -1.229688e-01 -6.777410e-02 4.387794e-01 -1.938336e-01 7.473139e-01 6.628578e-01 -5.292689e-02 4.876051e-01 5.606811e-01 -5.154819e-02 4.698321e-01 3.971978e-01 -6.353564e-02 -3.484231e-01 -1.660786e-01 4.125877e-01 4.889268e-01 -9.167652e-02 5.253502e-01 6.316889e-01 3.866752e-01 4.460093e-01 4.569327e-01 3.294997e-01 1.431529e-01 3.873298e-01 3.089450e-01 -1.269586e-01 5.622187e-02 -2.088448e-02 3.603226e-01 4.405878e-01 5.378807e-01 4.945055e-01 5.472203e-01 6.534232e-01 6.649864e-01 6.161027e-01 7.238475e-01 7.424060e-01 6.915670e-01 7.763942e-01 9.217229e-01 1.000000e+00 9.067533e-01 9.446949e-01 8.887623e-01 9.000262e-01 8.742281e-01 8.318558e-01 7.939404e-01 8.619620e-01 7.909119e-01 7.995166e-01 8.026111e-01 7.560872e-01 7.213127e-01 6.076707e-01 5.620959e-01 5.187368e-01 3.951537e-01 5.318045e-01 6.294632e-01 6.768338e-01 7.317114e-01 4.732158e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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diff changeset
64 2.551383e-01 5.497306e-01 1.465657e-02 1.607628e-01 3.775824e-01 5.481679e-01 3.039515e-01 2.468019e-01 3.815112e-02 -1.354506e-01 3.116727e-02 -6.956234e-01 -7.836116e-01 -7.861175e-01 -7.465954e-01 -8.095772e-01 -7.951900e-01 -5.413083e-01 -6.316560e-01 1.259242e-02 1.073697e-01 5.674477e-01 -8.498973e-02 7.740146e-01 6.453522e-01 -1.524768e-01 4.029959e-01 4.788230e-01 -1.550402e-01 3.719909e-01 3.036452e-01 -1.170865e-01 -4.248807e-01 -2.566216e-01 3.118498e-01 4.116505e-01 -1.485125e-01 4.755093e-01 6.215801e-01 3.361395e-01 5.492119e-01 5.966529e-01 4.615774e-01 2.634981e-01 4.960651e-01 4.286533e-01 -3.321255e-03 1.865059e-01 1.658299e-01 4.726305e-01 5.734094e-01 6.676940e-01 6.328858e-01 6.834684e-01 7.636098e-01 7.825836e-01 7.370014e-01 8.014087e-01 8.043995e-01 7.643518e-01 7.829096e-01 8.325598e-01 9.067533e-01 1.000000e+00 9.760657e-01 8.525501e-01 8.662841e-01 8.791960e-01 8.243665e-01 7.679827e-01 8.721707e-01 8.467777e-01 8.577749e-01 8.546469e-01 8.307421e-01 8.114672e-01 7.318704e-01 6.845804e-01 6.267259e-01 5.244025e-01 6.257865e-01 6.913737e-01 7.483928e-01 7.718124e-01 5.694002e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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diff changeset
65 1.981166e-01 5.545188e-01 5.459353e-02 1.934286e-01 4.070037e-01 5.858800e-01 3.682450e-01 3.142885e-01 1.039368e-01 -1.235198e-01 8.384984e-02 -6.686634e-01 -7.712356e-01 -7.764035e-01 -7.349180e-01 -7.985014e-01 -7.951710e-01 -5.667426e-01 -6.685427e-01 -4.379659e-02 5.063884e-02 5.414784e-01 -1.089057e-01 7.681898e-01 6.437793e-01 -1.388100e-01 4.105706e-01 4.910439e-01 -1.283068e-01 4.000911e-01 3.375320e-01 -1.131421e-01 -4.080646e-01 -2.262767e-01 3.415926e-01 4.340572e-01 -1.256577e-01 5.016107e-01 6.432596e-01 3.621912e-01 5.213638e-01 5.581331e-01 4.289309e-01 2.310647e-01 4.610553e-01 3.796031e-01 -5.713660e-02 1.339161e-01 9.684633e-02 4.372611e-01 5.182501e-01 6.278071e-01 5.896339e-01 6.441000e-01 7.368295e-01 7.466641e-01 7.064274e-01 7.930074e-01 8.012843e-01 7.700117e-01 8.223873e-01 8.982220e-01 9.446949e-01 9.760657e-01 1.000000e+00 8.894530e-01 8.856135e-01 8.787174e-01 8.318155e-01 7.782985e-01 8.726647e-01 8.257865e-01 8.369569e-01 8.317639e-01 8.117329e-01 7.847637e-01 6.863702e-01 6.383426e-01 5.915106e-01 4.749344e-01 5.924331e-01 6.767095e-01 7.370799e-01 7.676040e-01 5.438157e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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diff changeset
66 1.412775e-01 6.580312e-01 2.551532e-01 3.982406e-01 5.527493e-01 7.114980e-01 5.504417e-01 5.269296e-01 3.601014e-01 2.367548e-02 2.676737e-01 -6.237408e-01 -7.131326e-01 -7.479788e-01 -7.246466e-01 -7.777382e-01 -7.882722e-01 -6.563998e-01 -6.833893e-01 -1.829990e-01 -8.559754e-02 3.977073e-01 -1.766635e-01 7.402900e-01 6.687078e-01 -7.781969e-03 5.331768e-01 6.051252e-01 5.046238e-02 5.600508e-01 4.697506e-01 -4.030992e-02 -3.324196e-01 -1.193459e-01 4.252254e-01 4.960731e-01 -5.810588e-02 4.694630e-01 5.681095e-01 3.144775e-01 3.961360e-01 4.141407e-01 2.975270e-01 1.174894e-01 3.399163e-01 2.538767e-01 -1.530297e-01 1.814872e-02 -5.132543e-02 3.181805e-01 3.478639e-01 4.754534e-01 4.361700e-01 4.913768e-01 6.153005e-01 6.003148e-01 5.429820e-01 6.281001e-01 6.510189e-01 5.625645e-01 6.952027e-01 8.403749e-01 8.887623e-01 8.525501e-01 8.894530e-01 1.000000e+00 9.219696e-01 8.477015e-01 8.362505e-01 8.135230e-01 8.488825e-01 7.647210e-01 7.952108e-01 7.883643e-01 7.274902e-01 6.950399e-01 5.853697e-01 5.296614e-01 4.779235e-01 3.589194e-01 5.113949e-01 5.923528e-01 6.343301e-01 7.018707e-01 5.386405e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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67 2.275346e-01 7.023258e-01 2.190837e-01 3.474883e-01 5.334823e-01 7.059535e-01 5.543330e-01 5.188032e-01 3.066137e-01 -3.568008e-02 2.247285e-01 -6.779813e-01 -7.780136e-01 -8.139007e-01 -7.646954e-01 -8.400594e-01 -8.577328e-01 -6.970226e-01 -7.326067e-01 -1.558615e-01 -7.741360e-02 4.504346e-01 -1.849055e-01 8.042330e-01 7.374999e-01 2.016206e-03 5.882206e-01 6.756173e-01 5.248604e-02 6.060984e-01 5.186661e-01 -2.866501e-02 -3.607209e-01 -1.454707e-01 4.525290e-01 5.354325e-01 -7.702802e-02 4.922782e-01 5.896280e-01 3.069113e-01 4.002634e-01 4.225457e-01 2.997420e-01 1.156420e-01 3.467610e-01 2.613125e-01 -1.629260e-01 2.633007e-02 -4.275843e-02 3.337611e-01 4.329208e-01 5.428297e-01 4.743438e-01 5.288594e-01 6.576617e-01 6.426218e-01 5.650025e-01 6.523799e-01 6.748273e-01 5.757484e-01 6.793272e-01 8.170011e-01 9.000262e-01 8.662841e-01 8.856135e-01 9.219696e-01 1.000000e+00 9.339858e-01 9.121620e-01 9.096242e-01 9.232411e-01 8.292652e-01 8.787098e-01 8.781704e-01 7.940507e-01 7.717301e-01 6.465756e-01 5.731474e-01 5.455346e-01 4.321913e-01 5.956522e-01 6.854246e-01 7.363977e-01 7.760570e-01 6.160199e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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68 2.275813e-01 6.338177e-01 6.218283e-02 2.364884e-01 4.452723e-01 6.362743e-01 4.831911e-01 4.310376e-01 1.856929e-01 -1.525404e-01 8.357696e-02 -7.482894e-01 -8.249043e-01 -8.444533e-01 -7.757220e-01 -8.636912e-01 -8.801283e-01 -6.208356e-01 -7.348346e-01 -8.616110e-02 -3.598244e-03 5.084555e-01 -1.764888e-01 8.293364e-01 7.366281e-01 -5.067346e-02 5.437373e-01 6.238952e-01 -5.970267e-02 5.192252e-01 4.112575e-01 -1.540648e-01 -4.644997e-01 -2.495769e-01 3.422305e-01 4.477461e-01 -1.660256e-01 4.512001e-01 6.177005e-01 3.638596e-01 5.085810e-01 5.372925e-01 4.270047e-01 2.309042e-01 4.846861e-01 4.059747e-01 -3.244834e-02 1.701196e-01 9.922702e-02 4.647218e-01 5.590279e-01 6.597609e-01 5.956730e-01 6.410595e-01 7.480109e-01 7.311115e-01 6.374927e-01 7.105948e-01 7.261668e-01 6.340239e-01 6.888640e-01 7.866718e-01 8.742281e-01 8.791960e-01 8.787174e-01 8.477015e-01 9.339858e-01 1.000000e+00 9.369476e-01 9.026341e-01 9.516437e-01 8.952967e-01 9.059655e-01 9.106026e-01 8.492229e-01 8.264373e-01 7.021198e-01 6.474751e-01 6.161185e-01 5.265701e-01 6.715381e-01 7.297776e-01 7.935764e-01 8.099586e-01 6.344648e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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69 3.065232e-01 6.946809e-01 1.419280e-01 2.861504e-01 4.868460e-01 6.417206e-01 4.991519e-01 4.557693e-01 2.433219e-01 -1.324707e-01 1.165285e-01 -7.147416e-01 -8.080233e-01 -8.404080e-01 -7.816110e-01 -8.552768e-01 -8.692703e-01 -6.293261e-01 -7.166011e-01 -1.023480e-01 -1.498122e-02 4.720787e-01 -1.597843e-01 8.508172e-01 7.823521e-01 1.394847e-02 6.052921e-01 6.782736e-01 2.160388e-02 5.722587e-01 4.540730e-01 -9.812047e-02 -4.139133e-01 -2.336138e-01 3.394855e-01 4.310110e-01 -1.808237e-01 3.683472e-01 5.361352e-01 2.995211e-01 4.339359e-01 4.720830e-01 3.476586e-01 1.597646e-01 4.260131e-01 3.755256e-01 -5.759965e-02 1.318638e-01 8.334645e-02 4.176935e-01 5.032984e-01 5.984956e-01 5.217765e-01 5.696420e-01 7.019793e-01 6.764532e-01 5.759596e-01 6.757014e-01 7.008819e-01 5.980484e-01 6.473416e-01 7.522143e-01 8.318558e-01 8.243665e-01 8.318155e-01 8.362505e-01 9.121620e-01 9.369476e-01 1.000000e+00 9.675067e-01 9.625162e-01 9.091133e-01 9.299521e-01 9.334713e-01 8.369742e-01 8.108253e-01 6.699883e-01 6.058884e-01 5.593141e-01 4.676132e-01 6.304434e-01 7.202323e-01 7.775573e-01 8.181985e-01 6.586365e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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70 3.161774e-01 7.349524e-01 2.283237e-01 3.341671e-01 5.120865e-01 6.539895e-01 5.467109e-01 5.162687e-01 3.255826e-01 -6.016361e-02 2.129679e-01 -6.493024e-01 -7.600627e-01 -7.991393e-01 -7.575489e-01 -8.180979e-01 -8.435729e-01 -6.936607e-01 -7.196140e-01 -1.999985e-01 -1.253276e-01 3.879870e-01 -2.241491e-01 8.082267e-01 7.649754e-01 7.661471e-02 6.531791e-01 7.264951e-01 1.113278e-01 6.395689e-01 5.344044e-01 -1.005781e-02 -3.245323e-01 -1.486856e-01 3.974959e-01 4.730108e-01 -1.277447e-01 3.846080e-01 4.984040e-01 2.774851e-01 3.411454e-01 3.571194e-01 2.549867e-01 8.710858e-02 3.093424e-01 2.452067e-01 -1.626441e-01 1.696385e-02 -2.191173e-02 3.032713e-01 4.022671e-01 4.882358e-01 4.044039e-01 4.541122e-01 6.061060e-01 5.727765e-01 4.690653e-01 5.677524e-01 5.989308e-01 4.867354e-01 5.693890e-01 7.137529e-01 7.939404e-01 7.679827e-01 7.782985e-01 8.135230e-01 9.096242e-01 9.026341e-01 9.675067e-01 1.000000e+00 9.280559e-01 8.515387e-01 9.013731e-01 9.007306e-01 7.744185e-01 7.466376e-01 5.983465e-01 5.258356e-01 4.923773e-01 4.003548e-01 5.713917e-01 6.613377e-01 7.244285e-01 7.918527e-01 6.404534e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
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71 2.865340e-01 6.497398e-01 8.465141e-02 2.268435e-01 4.396736e-01 6.083969e-01 4.661264e-01 4.074030e-01 1.709566e-01 -1.782674e-01 5.823584e-02 -7.349901e-01 -8.301536e-01 -8.557409e-01 -7.905203e-01 -8.690993e-01 -8.854893e-01 -6.219756e-01 -7.169225e-01 -6.103626e-02 1.876480e-02 5.053677e-01 -1.634107e-01 8.370657e-01 7.476358e-01 -4.393605e-02 5.708947e-01 6.658742e-01 -4.382626e-02 5.302506e-01 4.124928e-01 -1.428024e-01 -4.604237e-01 -2.547312e-01 3.451791e-01 4.514939e-01 -1.907554e-01 3.931490e-01 5.752373e-01 3.344276e-01 4.910010e-01 5.289727e-01 4.082458e-01 2.123677e-01 4.841276e-01 4.215066e-01 -2.429771e-02 1.769935e-01 1.305588e-01 4.848369e-01 5.858401e-01 6.658025e-01 5.913808e-01 6.366321e-01 7.502747e-01 7.294105e-01 6.310823e-01 7.258375e-01 7.499741e-01 6.473455e-01 7.014871e-01 7.812923e-01 8.619620e-01 8.721707e-01 8.726647e-01 8.488825e-01 9.232411e-01 9.516437e-01 9.625162e-01 9.280559e-01 1.000000e+00 9.547268e-01 9.364762e-01 9.383078e-01 8.834681e-01 8.529347e-01 7.129137e-01 6.576334e-01 6.002497e-01 5.014171e-01 6.718364e-01 7.350318e-01 7.961969e-01 8.138147e-01 6.577830e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
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dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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73 3.414414e-01 6.393259e-01 1.136507e-01 2.521704e-01 4.104897e-01 5.589386e-01 3.548909e-01 3.196968e-01 1.237687e-01 -1.136988e-01 4.748475e-02 -7.141762e-01 -8.153323e-01 -8.369673e-01 -7.729739e-01 -8.490839e-01 -8.522749e-01 -5.767459e-01 -6.399581e-01 3.676946e-03 9.307205e-02 5.619544e-01 -5.160899e-02 8.683300e-01 7.623261e-01 -5.988706e-02 5.648489e-01 6.224609e-01 -6.058057e-02 4.942202e-01 3.572609e-01 -1.510841e-01 -4.856175e-01 -3.334429e-01 2.651635e-01 3.645343e-01 -2.486752e-01 3.435980e-01 5.388212e-01 2.296194e-01 5.004009e-01 5.711890e-01 4.395602e-01 2.576552e-01 5.025816e-01 4.489337e-01 4.095966e-02 2.267962e-01 2.004560e-01 4.932434e-01 5.885011e-01 6.740111e-01 6.046335e-01 6.513484e-01 7.705916e-01 7.653877e-01 6.896562e-01 7.560631e-01 7.661539e-01 6.484027e-01 6.438369e-01 7.140083e-01 7.995166e-01 8.577749e-01 8.369569e-01 7.952108e-01 8.787098e-01 9.059655e-01 9.299521e-01 9.013731e-01 9.364762e-01 9.323360e-01 1.000000e+00 9.960296e-01 8.951628e-01 8.877154e-01 7.800102e-01 7.178773e-01 6.611419e-01 5.786831e-01 7.093360e-01 7.605901e-01 8.420340e-01 8.703328e-01 7.255451e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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diff changeset
74 3.415605e-01 6.357978e-01 1.044133e-01 2.552396e-01 4.129969e-01 5.568436e-01 3.518626e-01 3.151143e-01 1.228316e-01 -1.233919e-01 3.721662e-02 -7.175787e-01 -8.176621e-01 -8.378230e-01 -7.680637e-01 -8.496703e-01 -8.547178e-01 -5.661588e-01 -6.404450e-01 2.071838e-02 1.002599e-01 5.585938e-01 -4.661915e-02 8.666427e-01 7.671947e-01 -5.718795e-02 5.617379e-01 6.199531e-01 -6.191352e-02 4.906363e-01 3.590538e-01 -1.499519e-01 -4.855590e-01 -3.326941e-01 2.663209e-01 3.674469e-01 -2.417625e-01 3.419340e-01 5.321155e-01 2.234912e-01 4.972089e-01 5.703966e-01 4.398211e-01 2.564397e-01 5.084136e-01 4.607541e-01 4.980465e-02 2.381280e-01 2.107692e-01 5.001605e-01 5.972360e-01 6.784368e-01 6.100440e-01 6.559600e-01 7.701371e-01 7.676846e-01 6.914311e-01 7.605879e-01 7.706789e-01 6.563835e-01 6.447197e-01 7.114114e-01 8.026111e-01 8.546469e-01 8.317639e-01 7.883643e-01 8.781704e-01 9.106026e-01 9.334713e-01 9.007306e-01 9.383078e-01 9.341218e-01 9.960296e-01 1.000000e+00 8.955144e-01 8.850217e-01 7.711217e-01 7.097880e-01 6.559952e-01 5.768378e-01 7.101189e-01 7.605692e-01 8.402187e-01 8.646996e-01 7.204965e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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diff changeset
75 2.635275e-01 4.759281e-01 -1.202719e-01 2.545773e-03 2.365421e-01 4.183991e-01 2.650564e-01 1.963983e-01 -5.538913e-02 -3.554101e-01 -1.684228e-01 -8.081655e-01 -8.597779e-01 -8.468936e-01 -7.610342e-01 -8.556746e-01 -8.435484e-01 -4.532471e-01 -5.944180e-01 1.570923e-01 2.242864e-01 6.567063e-01 -3.911070e-02 8.237301e-01 6.295904e-01 -2.679998e-01 3.573279e-01 4.476254e-01 -2.932559e-01 2.884865e-01 1.916622e-01 -3.400114e-01 -6.308089e-01 -4.505262e-01 1.325596e-01 2.755557e-01 -3.012603e-01 3.253145e-01 5.850181e-01 3.355736e-01 6.300982e-01 7.032189e-01 5.795115e-01 3.921633e-01 6.493001e-01 5.782734e-01 2.018674e-01 3.805304e-01 3.619628e-01 6.748177e-01 7.231422e-01 8.152683e-01 7.560758e-01 7.913246e-01 8.606314e-01 8.514377e-01 7.747957e-01 8.330391e-01 8.321185e-01 7.383501e-01 7.109829e-01 6.942121e-01 7.560872e-01 8.307421e-01 8.117329e-01 7.274902e-01 7.940507e-01 8.492229e-01 8.369742e-01 7.744185e-01 8.834681e-01 9.170237e-01 8.951628e-01 8.955144e-01 1.000000e+00 9.757242e-01 8.910488e-01 8.637753e-01 7.943051e-01 7.122521e-01 7.806800e-01 7.640795e-01 8.500765e-01 8.054614e-01 6.844592e-01
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
78 1.860898e-01 2.241933e-01 -3.226425e-01 -1.931219e-01 5.831997e-02 2.188571e-01 7.133237e-02 -3.698265e-03 -2.321876e-01 -4.060797e-01 -3.042699e-01 -7.628213e-01 -7.701474e-01 -7.452466e-01 -6.762838e-01 -7.505099e-01 -6.946414e-01 -2.348347e-01 -3.522439e-01 2.692925e-01 3.767890e-01 7.218035e-01 1.291358e-01 6.836614e-01 4.048911e-01 -4.720360e-01 8.275849e-02 1.670385e-01 -4.851359e-01 2.079448e-02 -7.119635e-02 -5.241151e-01 -7.335555e-01 -5.429567e-01 -5.209303e-02 9.012052e-02 -3.438793e-01 2.639754e-01 5.870172e-01 3.409470e-01 7.197965e-01 7.926018e-01 7.009812e-01 5.510807e-01 7.253441e-01 6.453349e-01 3.946048e-01 5.277684e-01 4.631145e-01 7.295432e-01 6.962935e-01 8.260074e-01 7.977289e-01 8.183446e-01 8.319888e-01 8.468473e-01 8.194602e-01 7.966020e-01 7.642752e-01 6.862904e-01 6.089136e-01 5.337509e-01 5.620959e-01 6.845804e-01 6.383426e-01 5.296614e-01 5.731474e-01 6.474751e-01 6.058884e-01 5.258356e-01 6.576334e-01 7.565635e-01 7.178773e-01 7.097880e-01 8.637753e-01 8.948181e-01 9.818648e-01 1.000000e+00 9.322744e-01 8.441797e-01 8.094772e-01 7.081618e-01 7.655254e-01 6.982096e-01 6.393428e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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diff changeset
79 1.184312e-01 1.980807e-01 -3.333708e-01 -2.254068e-01 2.618846e-02 2.091968e-01 1.049784e-01 3.490199e-02 -1.782925e-01 -4.105133e-01 -2.672097e-01 -7.640757e-01 -7.630641e-01 -7.125735e-01 -6.675343e-01 -7.286908e-01 -6.739556e-01 -2.050084e-01 -3.511441e-01 2.214017e-01 3.704404e-01 7.367016e-01 1.059292e-01 6.492645e-01 3.605869e-01 -4.901642e-01 6.136411e-02 1.449137e-01 -4.721535e-01 4.507687e-03 -7.763724e-02 -4.987454e-01 -7.176903e-01 -5.089351e-01 -7.480759e-02 6.109361e-02 -3.290616e-01 2.697464e-01 5.722898e-01 3.705292e-01 7.066658e-01 7.500995e-01 6.851828e-01 5.721126e-01 6.770396e-01 5.922077e-01 3.678351e-01 4.898871e-01 4.136695e-01 6.962246e-01 6.736140e-01 7.992943e-01 7.519129e-01 7.733487e-01 7.996228e-01 7.997584e-01 7.808475e-01 7.308018e-01 6.899779e-01 6.121292e-01 5.523709e-01 4.958602e-01 5.187368e-01 6.267259e-01 5.915106e-01 4.779235e-01 5.455346e-01 6.161185e-01 5.593141e-01 4.923773e-01 6.002497e-01 6.950467e-01 6.611419e-01 6.559952e-01 7.943051e-01 8.343533e-01 9.256698e-01 9.322744e-01 1.000000e+00 9.221286e-01 8.388163e-01 7.045238e-01 7.648825e-01 7.048604e-01 6.436974e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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diff changeset
80 1.548741e-01 1.157951e-01 -3.543755e-01 -2.601901e-01 -3.397311e-02 1.318019e-01 3.726240e-02 -4.133812e-02 -2.215133e-01 -4.011232e-01 -3.125052e-01 -6.902476e-01 -6.862149e-01 -6.252751e-01 -5.695815e-01 -6.326231e-01 -5.842908e-01 -1.445968e-01 -2.902689e-01 3.071796e-01 4.838808e-01 7.840032e-01 2.325656e-01 5.874072e-01 3.004237e-01 -4.618881e-01 3.725336e-03 5.050458e-02 -4.884649e-01 -4.965060e-02 -1.476008e-01 -5.205318e-01 -6.976873e-01 -5.203498e-01 -1.576396e-01 -2.407155e-02 -3.517267e-01 1.765438e-01 5.067937e-01 3.266932e-01 6.732400e-01 7.139770e-01 6.460786e-01 5.521716e-01 6.311734e-01 5.643316e-01 3.895064e-01 4.897923e-01 4.419243e-01 6.674224e-01 6.709405e-01 7.675041e-01 7.196333e-01 7.274686e-01 7.446098e-01 7.410078e-01 7.049545e-01 6.444178e-01 5.944815e-01 5.279860e-01 4.598240e-01 3.623348e-01 3.951537e-01 5.244025e-01 4.749344e-01 3.589194e-01 4.321913e-01 5.265701e-01 4.676132e-01 4.003548e-01 5.014171e-01 6.091664e-01 5.786831e-01 5.768378e-01 7.122521e-01 7.623011e-01 8.434182e-01 8.441797e-01 9.221286e-01 1.000000e+00 8.919468e-01 7.116244e-01 7.490845e-01 6.389157e-01 6.261895e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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diff changeset
81 2.399231e-01 2.885415e-01 -2.331192e-01 -1.188275e-01 8.647112e-02 2.522964e-01 1.687098e-01 9.222252e-02 -1.257034e-01 -3.554627e-01 -2.617730e-01 -7.143363e-01 -7.419617e-01 -7.401821e-01 -6.560168e-01 -7.273720e-01 -7.093924e-01 -3.337832e-01 -4.347268e-01 2.452853e-01 4.095715e-01 7.914276e-01 1.967527e-01 7.139858e-01 4.948650e-01 -3.218759e-01 2.079002e-01 2.699629e-01 -3.320517e-01 1.630856e-01 1.744754e-02 -4.732370e-01 -6.921024e-01 -4.544458e-01 -8.462455e-02 1.669018e-02 -3.945704e-01 1.137989e-01 4.873593e-01 2.913892e-01 6.115065e-01 6.920094e-01 5.918906e-01 4.389530e-01 6.128581e-01 5.525248e-01 2.893938e-01 4.329766e-01 3.956910e-01 6.496563e-01 6.972918e-01 7.771229e-01 7.071345e-01 7.225419e-01 7.780114e-01 7.524165e-01 6.752727e-01 6.537869e-01 6.250507e-01 5.262892e-01 5.221159e-01 4.595499e-01 5.318045e-01 6.257865e-01 5.924331e-01 5.113949e-01 5.956522e-01 6.715381e-01 6.304434e-01 5.713917e-01 6.718364e-01 7.353587e-01 7.093360e-01 7.101189e-01 7.806800e-01 8.149282e-01 8.336229e-01 8.094772e-01 8.388163e-01 8.919468e-01 1.000000e+00 8.550368e-01 8.704458e-01 7.114933e-01 7.141637e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
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82 3.198240e-01 3.631629e-01 -1.041552e-01 7.047354e-03 1.817883e-01 3.390661e-01 2.296206e-01 1.603264e-01 -8.381340e-02 -2.785395e-01 -1.947907e-01 -6.647533e-01 -7.303442e-01 -7.482449e-01 -6.565846e-01 -7.379293e-01 -7.142225e-01 -4.462235e-01 -5.306829e-01 1.318055e-01 3.019252e-01 7.825046e-01 2.125343e-01 7.495202e-01 5.944099e-01 -2.061318e-01 3.436987e-01 3.964177e-01 -1.827145e-01 3.117863e-01 1.622471e-01 -3.296010e-01 -5.861030e-01 -3.725755e-01 5.578807e-02 1.318935e-01 -3.481314e-01 1.646058e-01 4.898024e-01 2.338775e-01 5.142550e-01 6.043180e-01 4.973682e-01 3.269693e-01 5.343261e-01 4.936580e-01 1.349767e-01 3.098094e-01 2.987216e-01 5.563578e-01 6.374191e-01 7.223521e-01 6.202442e-01 6.431184e-01 7.407689e-01 7.176751e-01 6.393627e-01 6.587413e-01 6.472444e-01 5.597894e-01 5.796328e-01 5.618693e-01 6.294632e-01 6.913737e-01 6.767095e-01 5.923528e-01 6.854246e-01 7.297776e-01 7.202323e-01 6.613377e-01 7.350318e-01 7.569818e-01 7.605901e-01 7.605692e-01 7.640795e-01 7.695482e-01 7.570563e-01 7.081618e-01 7.045238e-01 7.116244e-01 8.550368e-01 1.000000e+00 9.252615e-01 7.613206e-01 7.539583e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
83 2.871581e-01 3.805749e-01 -1.322837e-01 -2.833621e-02 1.752743e-01 3.459054e-01 2.162132e-01 1.534629e-01 -9.953772e-02 -3.147804e-01 -1.822963e-01 -7.311628e-01 -7.936460e-01 -8.052809e-01 -7.229742e-01 -7.979767e-01 -7.794025e-01 -4.549347e-01 -5.495171e-01 1.564667e-01 3.198691e-01 7.817212e-01 1.462654e-01 7.893347e-01 6.185711e-01 -2.333164e-01 3.509858e-01 4.157245e-01 -2.294472e-01 2.920341e-01 1.563965e-01 -3.539717e-01 -6.213656e-01 -4.206065e-01 4.740655e-02 1.529481e-01 -3.310618e-01 2.267073e-01 5.291820e-01 2.807402e-01 5.705168e-01 6.510527e-01 5.457861e-01 3.738468e-01 5.753029e-01 5.187999e-01 1.556266e-01 3.381015e-01 3.236408e-01 6.059078e-01 6.829140e-01 7.712760e-01 6.858610e-01 7.101676e-01 7.900559e-01 7.822072e-01 7.156215e-01 7.406277e-01 7.320795e-01 6.420694e-01 6.272650e-01 6.206159e-01 6.768338e-01 7.483928e-01 7.370799e-01 6.343301e-01 7.363977e-01 7.935764e-01 7.775573e-01 7.244285e-01 7.961969e-01 8.249007e-01 8.420340e-01 8.402187e-01 8.500765e-01 8.591075e-01 8.143088e-01 7.655254e-01 7.648825e-01 7.490845e-01 8.704458e-01 9.252615e-01 1.000000e+00 8.859850e-01 7.871885e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
84 2.729700e-01 4.653342e-01 1.900203e-02 1.064947e-01 2.889330e-01 4.484782e-01 2.936984e-01 2.400089e-01 2.961299e-02 -2.023740e-01 -3.040680e-02 -6.482766e-01 -7.701132e-01 -7.884804e-01 -7.414738e-01 -8.018801e-01 -7.801353e-01 -5.508959e-01 -5.608826e-01 3.328580e-03 1.838775e-01 6.653303e-01 4.266313e-02 8.025016e-01 6.640941e-01 -1.470806e-01 4.551779e-01 5.165647e-01 -1.004115e-01 4.047250e-01 3.109148e-01 -1.894209e-01 -4.849543e-01 -3.025651e-01 2.057708e-01 3.063524e-01 -2.077085e-01 3.380179e-01 5.319771e-01 2.558240e-01 4.895017e-01 5.458681e-01 4.380827e-01 2.800385e-01 4.592875e-01 3.926818e-01 1.376285e-02 1.804343e-01 1.840272e-01 4.555297e-01 5.371349e-01 6.312655e-01 5.545504e-01 6.044618e-01 7.192643e-01 7.179048e-01 6.727983e-01 7.219463e-01 7.235961e-01 6.342125e-01 6.269117e-01 6.878787e-01 7.317114e-01 7.718124e-01 7.676040e-01 7.018707e-01 7.760570e-01 8.099586e-01 8.181985e-01 7.918527e-01 8.138147e-01 8.118032e-01 8.703328e-01 8.646996e-01 8.054614e-01 8.158243e-01 7.520802e-01 6.982096e-01 7.048604e-01 6.389157e-01 7.114933e-01 7.613206e-01 8.859850e-01 1.000000e+00 7.875350e-01
dd195f7a791c "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
chemteam
parents:
diff changeset
85 4.698382e-01 3.082189e-01 2.380463e-02 6.972733e-02 1.191503e-01 1.932985e-01 1.396341e-01 7.838604e-02 -7.779810e-02 -1.515384e-01 -1.519327e-01 -5.455479e-01 -6.224258e-01 -6.350756e-01 -5.628694e-01 -6.224103e-01 -6.219639e-01 -4.041541e-01 -3.565057e-01 9.695021e-02 2.457440e-01 6.427889e-01 1.761349e-01 6.621961e-01 5.693002e-01 -1.229124e-01 3.957721e-01 4.576519e-01 -4.216936e-02 3.618611e-01 2.674426e-01 -1.866583e-01 -4.693864e-01 -2.677724e-01 4.218043e-02 1.184374e-01 -2.020733e-01 1.125576e-01 3.290460e-01 3.617804e-02 4.252153e-01 5.513016e-01 4.770550e-01 3.467639e-01 4.825747e-01 4.423651e-01 1.587508e-01 2.980973e-01 3.504779e-01 4.771593e-01 5.231477e-01 6.047992e-01 5.425960e-01 5.685804e-01 6.406140e-01 6.392886e-01 5.885057e-01 5.778499e-01 5.620948e-01 4.596908e-01 4.739304e-01 4.278824e-01 4.732158e-01 5.694002e-01 5.438157e-01 5.386405e-01 6.160199e-01 6.344648e-01 6.586365e-01 6.404534e-01 6.577830e-01 6.794926e-01 7.255451e-01 7.204965e-01 6.844592e-01 6.944836e-01 6.775051e-01 6.393428e-01 6.436974e-01 6.261895e-01 7.141637e-01 7.539583e-01 7.871885e-01 7.875350e-01 1.000000e+00