There was a typo in my earlier message.
The last example I intended to send was:
>>> mol = Chem.MolFromSmiles('N1C=CC=C1')
>>> Chem.Kekulize(mol,clearAromaticFlags=True)
>>> for atom in mol.GetAtoms():
if atom.GetAtomicNum() in (7,15,16) and atom.GetNumExplicitHs()==1:
atom.SetNumExplicitHs(0)
...
>>> tempMol = Chem.EditableMol(mol)
>>> idx = tempMol.AddAtom(Chem.Atom(0))
>>> tempMol.AddBond(idx,0,Chem.BondType.SINGLE)
6
>>> nm = tempMol.GetMol()
>>> print Chem.MolToSmiles(nm)
[*]N1C=CC=C1
The earlier message included a spurious "sanitize=False" argument to the
Chem.MolFromSmiles() call.
-greg
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