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void OETriposAtomNames(OEMolBase &mol)
The OETriposAtomNames function sets the atom name property of each
atom, using the OEAtomBase::SetName method, to follow the convention
typically followed in Sybyl .mol2 files. Each atom is named by its
atomic symbol (or ``Du'' for element zero) followed by a sequential
index per atomic number. For example, the first carbon in the molecule
is named ``C1'', the second ``C2'', and so on. Similarly, the first
oxygen is named ``O1'' and so on.
The ordering of atoms is taken from the iterator returned by the
OEMolBase::GetAtoms method (and may therefore be changed by using
OEMolBase::OrderAtoms) and is unchanged by this function.
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