Hi Greg, First of all, many thanks for all your help!
I managed to get it working for Python wrapper. Could you please give me an idea how to implement it for Postgres cartridge? Kind regards, Andrew 13.12.2017 08:58, Greg Landrum <greg.land...@gmail.com> >On Tue, Dec 12, 2017 at 7:28 PM, Andrey <pti...@ua.fm> wrote: > > > > > Does this depend on removeHs() function? I mean, to make MergeQueryHs() > > work, should I do removeHs=False first for all compounds in my database, to > > preserve implicit\explicit hydrogens in their structure? > > > > The MergeQueryHs() functionality is primarily intended to be used for > molecules where the Hs have been removed. > > -greg -- реклама ----------------------------------------------------------- Программа для автоматизации бизнеса для ленивых эгоистов. CRM OneBox - https://goo.gl/TDv2xT ------------------------------------------------------------------------------ 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
