[Rdkit-discuss] Clearing isotope info

[Tim D. <tdu...@gm...>]

I'm wanting to write isomeric smiles that does not include isotope 
information.
The standard Chem.MolToSmiles(m, isomericSmiles=True) includes isotope 
information which is what I'm wanting to exclude.

I note that there is a Atom.SetIsotope(int) method and after a bit of 
hacking around I found that doing a Atom.SetIsotope(0) seems to do the 
trick, but does look a bit strange. Is this really a surrogate for the 
non-existent Atom.ClearIsotope() method?

Tim