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src/b/i/biskit-2.4/scripts/Dock/pdb2complex.py   biskit(Download)
 
print "Extracting rec and lig..."
ref_rec = ref_com.takeChains( rec_chains )
ref_lig = ref_com.takeChains( lig_chains )
 

src/b/i/biskit-2.4/scripts/Dock/delphiBinding.py   biskit(Download)
    lig_chains = T.toIntList( options['l'] )
 
    rec = m.takeChains( rec_chains )
    lig = m.takeChains( lig_chains )
 

src/b/i/biskit-2.4/Biskit/Dock/delphiBindingEnergy.py   biskit(Download)
    def test_errorcase1( self ):
        """bindinEnergyDelphi test (error case 01)"""
        self.m = PDBModel( T.testRoot() + '/delphi/case01.pdb' )
        rec = self.m.takeChains( [0,1] )
        lig = self.m.takeChains( [2] )