Hello colleagues,
I am trying to "unisotope" a molecule. When I print out the smiles of the
processed molecule, the atoms that were unisotoped were surrounded by
square brackets. Is there any way to get rid of these brackets?
>>> m = Chem.MolFromSmiles("[13C][13C]")
>>> for a in m.GetAtoms():
... a.SetIsotope(0)
...
>>> Chem.MolToSmiles(m)
'[C][C]'
Thank you.
Ling
_______________________________________________
Rdkit-discuss mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
