Re: [Rdkit-discuss] How to determine if atoms are part of the same ring?

Dear Andrew: Thank you very much for your input. I was able to refine and correct my approach with your suggestions. Cheers, Markus On Wed, Feb 8, 2017 at 12:23 PM, Andrew Dalke wrote: > On Feb 8, 2017, at 19:22, Markus Metz wrote: > > The

Re: [Rdkit-discuss] Stereochemistry issue for spirocycles/pseudochiral centres(?)

To close the loop on this: the bug fix is now merged onto master. The ring stereochemistry code now handles spiro centers. Here's the little demo of that: In [2]: print(Chem.CanonSmiles('O[C@H]1CC[C@]11CC[C@@](Cl)(Br)CC1')) O[C@H]1CC[C@]12CC[C@@](Cl)(Br)CC2 Unlike previously (see the bug report)