Christian Kramer

Hi Ichiru. I am not sure whether I understand you correctly. However, I do not think that if startAtom and endAtom are in a ring this is a sufficient criterion...

Andrew commented on this request on the RDKit-discuss mailing list as: """ I took a look at the code. It expects that there is only a single SMARTS, so there's...

At the RDKit UGM Hackathon 2019, this question came up again. Participants wanted to use the RECAP rules for cutting. Creating a single SMARTS to match all 11 rules might...

Hi Cheng, thanks for pointing out this issue. mmpdb does have functionality to skip erroneous SMILES, but this one seems to be another problem - the SMILES is complicated, but...

Dear Niaev, thank you for the bug report. I will look into it, I just cannot promise when exactly. Best regards, Christian

Hi Pablo, I currently do not personally develop mmpdb any more. This is in the hands of @adalke and Jerome Hert. Maybe they can comment? Bests, Christian