Hi everyone,
Is it possible to draw a structure from a SMARTS that contain generic label?
The following is a valid SMARTS for a structure with an undefined
heteroatom [N,O,P,S] and an undefined halogen [F,Cl,Br,I]:
[#7,#8,#15,#16]=C(CC1=CC([#9,#17,#35,#53])=CC=C1)[#7,#8,#15,#16]
[image: Inline images 1]
For some reason the rdkit function Draw.MolToImage(mol) only peaks the
first atom from the list of heteroatoms or from the list of halogens and
returns:
[image: Inline images 2]
I would be even happier if I could get a structure image with “X” for
halogen and “Q” for heteroatoms:
[image: Inline images 3]
Thanks,
Alexis
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