On Apr 26, 2018, at 12:38, Andrew Dalke <da...@dalkescientific.com> 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: http://dalkescientific.com/mmpdb-2.1b1.tar.gz or my fork at: https://github.com/adalke/mmpdb and let me know of any problems. NOTE! Because of this change, anyone who switches from a pre-2018 RDKit to the most recent RDKit must rebuild the .mmpdb files. It does not appear that the .fragment files also need to be redone, so rebuilding the .mmpdb file is mostly a matter of re-running the index step. Andrew da...@dalkescientific.com ------------------------------------------------------------------------------ Check out the vibrant tech community on one of the world's most engaging tech sites, Slashdot.org! http://sdm.link/slashdot _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
