I am not a chemist, so it can be a silly question, but I am interested in
the logic behind it, also because other libraries (like OpenBabel) behave
differently.
Why sometimes RDKit writes hydrogens explicitly?
mol = rdkit.MolFromSmiles('CCS=O', sanitize=False)
rdkit.MolToSmiles(mol)
'CC[SH]=O'
The input SMILES is intended as a pattern, not a molecule. I make a mol out
of it only to get the canonical SMILES, that will be then used as SMARTS.
Logically, I don't understand how the number of H attached to the S can be
"guessed" by the library, still it cannot be left implicit.
Furthermore, I have seen this behaviour only with S and P. I was wondering
if it's a confined issue, or it can happen with any element.
Thank you
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