datamol-io / datamol

Molecular Processing Made Easy.
https://docs.datamol.io
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Option to sanitize SMARTS #116

Closed hadim closed 2 years ago

hadim commented 2 years ago
scf.UpdatePropertyCache()
Chem.GetSymmSSSR(scf)

this is not done by default and can sometime lead to Pre-condition Violation - RingInfo not initialized errors.