Good, thank you Sereina! Ling Sereina Riniker <sereina.rini...@gmail.com> 於 2022年6月19日週日 上午1:48寫道：
> 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 > >
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