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Version 1.3.1
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Previous: 22.5.1 OEReadMacroModelFile Up: 22.5 MacroModel File Format Next: 22.6 XYZ File Format

22.5.2 OEWriteMacroModelFile 

def MyWriteMacroModelMolecule(ofs, mol):
    if not OEHasResidues(mol):
        OEPerceiveResidues(mol)
    OEMacroModelAtomTypes(mol)
    OEWriteMacroModelFile(ofs, mol)

Previous Page Up One Level Next Page OEChem - Python Theory Manual
Version 1.3.1
Contents Index
Previous: 22.5.1 OEReadMacroModelFile Up: 22.5 MacroModel File Format Next: 22.6 XYZ File Format
Documentation released on July 30, 2004.