Several points: A) Sorry, I forgot. I am using rdkit 2020.03 B) the attached piperidine.sdf file is input i used to generate the molblock. I copy and pasted the content. C) I also noticed that babel adds the missing charge in after writing out the piperidine example as sdf file and converting it from sd to sd in obabel. Markus
> On Oct 2, 2020, at 1:33 PM, Norwid Behrnd <nbeh...@yahoo.com> wrote: > > an _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
