[Rdkit-discuss] Canonical order in SMILES

[Jean-Marc N. <jm....@un...>]

Dear all,

sorry for asking for something that has certainly been already answered.

Chem.MolToSmiles(m) produced a SMILES string for the the given molecule m.
How is it possible to associate the order of atom apparition in the 
SMILES chain
to a list of atom indexes in m?

All the best,

Jean-Marc

-- 
Jean-Marc Nuzillard
Directeur de Recherches au CNRS

Institut de Chimie Moléculaire de Reims
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