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src/b/i/biskit-2.4/scripts/Biskit/amber_ensembleMD.py   biskit(Download)
    def parseReference(self, fpdb, dry_out=None ):
        flushPrint("parsing "+fpdb+"...")
        m = PDBModel( fpdb )
 
        solute_res = m.atom2resMask( logical_not( m.maskSolvent() )  )