Hello everybody,
I am currently trying to generate SMARTS Patterns from an 'mol' or 'sdf'
file using pybel. So far I haven't been able to succeed.
Is it possible to convert Canonical-SMILES (which is possible) into SMARTS?
Or can I use Canonical-SMILES with the pybel.smarts() module?
I look forward to your answer.
best wishes,
Patrik Mika
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