m = Chem.MolFromSmiles('C#C')

renders fine

[image: Inline image 1]

but adding in the hydrogens, they don't snap to a linear arrangement

m2=Chem.rdmolops.AddHs(m)


[image: Inline image 3]


This doesn't just affect acetylene, but any terminal alkyne, like
'c1ccc(CCC#C)cc1'.

I can write a hack on my end to look for this special case, but where in
the drawing code does it decide where to place hydrogens?

Jason Biggs
------------------------------------------------------------------------------
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