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Subsections

 
23.6 XYZ File Format

23.6.1 OEReadXYZFile 

def MyReadXYZMolecule(ifs, mol):
    mol.Clear()
    if OEReadXYZFile(ifs,mol):
        OEDetermineConnectivity(mol)
        OEFindRingAtomsAndBonds(mol)
        OEPerceiveBondOrders(mol)
        OEAssignImplicitHydrogens(mol)
        OEAssignFormalCharges(mol)
        OEAssignAromaticFlags(mol)
        return 1
    mol.Clear()
    return 0

23.6.2 OEWriteXYZFile 

def MyWriteXYZMolecule(ofs, mol):
    OEWriteXYZFile(ofs, mol)

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Documentation released on June 4, 2008.