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Version 1.3.1
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22.3.2 OEWriteMol2File 

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

Previous Page Up One Level Next Page OEChem - Python Theory Manual
Version 1.3.1
Contents Index
Previous: 22.3.1 OEReadMol2File Up: 22.3 Sybyl Mol2 File Next: 22.4 PDB File Format
Documentation released on July 30, 2004.