@@ -126,9 +126,9 @@ Each output represents interface of a conformation and contains a set of local e
Following commands will use the trained models that can be found in the directory 'Models'. This directory includes 3 sets of models:
'BM5': 10 models generated following 10-fold cross validation procedure on the 142 dimers of the Docking Benchmakr version 5. The docking conformations had been generated by HADDOCK.
'Dockground': 4 models generated following 4-fold cross validation procedure on the 59 target complexes of the Dockground database. The docking conformations had been generated by GRAMM.
'CCD4PPI': 5 models generated following 5-fold cross validation procedure on the 400 target complexes.
'BM5': 10 models generated following 10-fold cross validation procedure on the 142 dimers of the Docking Benchmakr version 5. The docking conformations had been generated by HADDOCK.<br>
'Dockground': 4 models generated following 4-fold cross validation procedure on the 59 target complexes of the Dockground database. The docking conformations had been generated by GRAMM-X. <br>
'CCD4PPI': 5 models generated following 5-fold cross validation procedure on the 400 target complexes.<br>
For detailed information please read the article.
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@@ -136,15 +136,15 @@ For detailed information please read the article.
From directory 'Test' run ```python test.py```
It processes all the target complexes and their conformations and produces csv file 'predictions_SCR'. Each row of the output file belongs to a conformation and it has 9 columns separated by 'tab':
Name of target complex and the conformation (`Conf`)
Fold Id (`Fold`)
Score of each residue (`Scores`)
Region (SCR) of each residue (`Regions`)
Global averaged score of the interface (`Score`)
Processing time (`Time`)
Class of the conformation (`Class`, 0:incorrect, 1: near-native)
Partner (`RecLig`)
Residue number (`ResNumber`; according to PDB)
Name of target complex and the conformation (`Conf`) <br>
Fold Id (`Fold`)<br>
Score of each residue (`Scores`)<br>
Region (SCR) of each residue (`Regions`)<br>
Global averaged score of the interface (`Score`)<br>
Processing time (`Time`)<br>
Class of the conformation (`Class`, 0:incorrect, 1: near-native)<br>
Partner (`RecLig`)<br>
Residue number (`ResNumber`; according to PDB)<br>
One can associate the Residues' numbers, regions, scores, and partner to evaluate the interface on a subset of interfacial residues.
