OEHypervalentNormalization

OEHypervalentNormalization(mol: Union[OEGraphMol,OEMol,OEQMol]) -> None

This function should be used in conjunction with OERemoveFormalCharge to prepare a molecule to be passed to the OEEnumerateTautomers function. These two normalization help the tautomer enumeration yield a higher proportion of lower-energy tautomers.

See also

• OEEnumerateTautomers

• OERemoveFormalCharge