Dimitri, This is yet another demonstration of why chemists don't normally do 2D depictions of molecules that include Hs: things are just too crowded.
Even quite good 2D coordinate generators like MarvinSketch have problems with this: [image: Inline image 1] Why do you want 2D drawings that include H atoms? -greg On Wed, Sep 7, 2016 at 9:22 PM, Dimitri Maziuk <dmaz...@bmrb.wisc.edu> wrote: > :( > > Here's one where AddHs() really breaks things. It is an unpleasant > molecule to draw. > > So it looks like the issue is that > - for CID 112084 call to AddHs() changed the layout (arguably not for > the better), whereas > - for CID 260719 it didn't change the layout/shorten the bonds when it > really should have. > > For reference, CID260719.ob.svg is the other toolkit's rendering of the > same file with (atom indexes changed to green from OB's default red). > > -- > Dimitri Maziuk > Programmer/sysadmin > BioMagResBank, UW-Madison -- http://www.bmrb.wisc.edu > > ------------------------------------------------------------ > ------------------ > > _______________________________________________ > Rdkit-discuss mailing list > Rdkit-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss > >
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