Hi everybody. Thanks a lot for answering.
On Wed, 21 Dec 2022, 8:19 am Greg Landrum, <greg.land...@gmail.com> wrote: > > On Tue, Dec 20, 2022 at 11:11 AM Wim Dehaen <wimdeh...@gmail.com> wrote: > >> Hello, >> I think the place the hydrogens get lost is during the "MolFromMolBlock" >> operation. Try to add the flag *removeHs=False.* >> > > Wim's answer is correct: by default the RDKit functions which construct > molecules from SMILES, Mol, etc. will remove Hs. This behavior can be > disabled if you want to keep the Hs. > > -greg > _______________________________________________ > 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
