Dear Ling, Yes, the atom indexing is the same for all conformers of a molecule.
Best regards, Sereina > On 19 Jun 2022, at 00:04, Ling Chan <lingtrek...@gmail.com> wrote: > > Dear colleagues, > > Just wonder if the atom indexing in a conformer is always identical to that > of the parent molecule? I suspect it is but would like to confirm. > > Specifically, I would like to confirm that > for conf in mol.GetConformers(): > conf.GetAtomPosition(idx) > always corresponds to the atom > mol.GetAtomWithIdx(idx) > > Thank you. > > Ling > _______________________________________________ > Rdkit-discuss mailing list > Rdkit-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
