Re: [Rdkit-discuss] RDKIT 2018.3 and MMPDB problem

On Apr 26, 2018, at 12:38, Andrew Dalke wrote: > The automated mmpdb test suite isn't that good, so I still need to do some > manual testing. I won't be able to get to this until (hopefully) this evening. I did that, and tracked down one more bug. Please try out:

Re: [Rdkit-discuss] RDKIT 2018.3 and MMPDB problem

On Apr 26, 2018, at 10:09, Marco Stenta wrote: > > Dear Colleagues, > I just installed on conda env the new rdkit version > and wanted to try mmpdb but upon testing I got the error below > reverting back to rdkit=2017.09.3.0 it works fine (I still get some errors > but

Re: [Rdkit-discuss] RDKIT 2018.3 and MMPDB problem

On Apr 26, 2018, at 10:09, Marco Stenta wrote: > > Dear Colleagues, > I just installed on conda env the new rdkit version > and wanted to try mmpdb but upon testing I got the error below > reverting back to rdkit=2017.09.3.0 it works fine (I still get some errors > but

[Rdkit-discuss] RDKIT 2018.3 and MMPDB problem

Dear Colleagues, I just installed on conda env the new rdkit version and wanted to try mmpdb but upon testing I got the error below reverting back to rdkit=2017.09.3.0 it works fine (I still get some errors but it goes thrugh) It is a bug, am I doing anything obviously wrong? Any help will be