The question has no sense indeed, sorry for confusion. Everything seems working now. Thank you!
Andrew 15.01.2018 06:56, Greg Landrum <greg.land...@gmail.com> >On Thu, Jan 11, 2018 at 7:23 PM, Andrey <pti...@ua.fm> wrote: > > > > > I managed to get it working for Python wrapper. Could you please give me > > an idea how to implement it for Postgres cartridge? > > > > > I don't understand the question. The blog post I pointed you to earlier in > the thread: > http://rdkit.blogspot.ch/2016/07/tuning-substructure-queries-ii.html > focuses on using this functionality with the cartridge. > > Did that not work for you or are you looking for something different? > > > > 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 ----------------------------------------------------------- http://FREEhost.UA - Купи хостинг или домен и получи сертификат Google AdWords номиналом 900 грн.в подарок! - http://goo.gl/EcgF4I ------------------------------------------------------------------------------ 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
