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
------------------------------------------------------------------------------
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

Reply via email to