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src/b/i/biskit-2.4/Biskit/delphi.py   biskit(Download)
from Biskit import Executor, PDBModel
from Biskit.reduce import Reduce
from Biskit.atomCharger import AtomCharger
from Biskit.amberResidueLibrary import AmberResidueLibrary
from Biskit.amberResidues import AmberPrepParser
    def prepare( self ):
        if not 'partial_charge' in self.model.atoms:
            ac = AtomCharger()
            ac.charge( self.model )
 
                    reslib = AmberResidueLibrary(self.topologies,log=self.log,
                                                 verbose=self.verbose)
                ac = AtomCharger( reslibrary=reslib, 
                                  log=self.log, verbose=self.verbose )
                ac.charge( self.delphimodel )
            T.errWriteln( 'Done.' )
 
        ac = AtomCharger()
        ac.charge(self.rmodel)
        self.rmodel.addChainFromSegid()