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23.3 Sybyl Mol2 File Format

23.3.1 OEReadMol2File 

def MyReadMol2Molecule(ifs, mol):
    mol.Clear()
    if OEReadMol2File(ifs,mol):
        OEFindRingAtomsAndBonds(mol)
        OEAssignAromaticFlags(mol)
        return 1
    mol.Clear()
    return 0

23.3.2 OEWriteMol2File 

def MyWriteMol2Molecule(ofs, mol):
    OEFindRingAtomsAndBonds(mol)
    OEAssignAromaticFlags(mol,OEAroModelTripos)
    OETriposAtomTypeNames(mol)
    OETriposBondTypeNames(mol)
    OETriposAtomNames(mol)
    OEWriteMol2File(ofs,mol,false)

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Documentation released on June 4, 2008.