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connorcoley / rdchiral

Wrapper for RDKit's RunReactants to improve stereochemistry handling
MIT License
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return changed atoms #2

Closed thomasstruble closed 4 years ago

thomasstruble commented 5 years ago

Returns a dictionary of {sanatized smiles: (atom mapped smiles, (changed atoms))} which allows for lookup later based on the sanitized smiles

thomasstruble commented 5 years ago

return changed atoms