Hello,
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Suppose I read in the SMILES of an aromatic molecule e.g., for
benzene
c1ccccc1
I then want to convert the molecule to a Kekule representation and
then perform various SMARTS pattern recognition e.g.
[C]=[C]-[C]
I have tried various Kekule commands in RDkit, but I can not figure
out how to (or if it is possible) to recognize a SMARTS pattern for
a portion of a molecule which is aromatic, but is currently being
stored as a Kekule structure.
Also, is it possible to generate and store more than one Kekule
form in RDkit?
Thank you.
Regards,
Jim Metz
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