On Wed, 3 Oct 2018 17:26:24 +0200 Greg Landrum <[email protected]> wrote:
> Yep good point. > Though you can opt to keep the Hs if you want, that is not the default > behavior. ;) I work for NMR people, we get very attached to our protons. Seriously though, I forget whether it was rdkit or openbabel, but back when I was testing them I managed to read L-alanine MOL in and get D-alanine InChI string out in one of them. -- Dmitri Maziuk <[email protected]> _______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
