chemaxon.standardizer.standardizer

class Standardizer:

Creates a standardizer object.

More information about molecule standardization: https://docs.chemaxon.com/display/docs/standardizer_working-with-standardizer.md

Standardizer(config: str | io.IOBase)

config: str

Configuration string in xml or action string format or a file object of the configuration file.

def standardize(self, mol: chemaxon.molecule.Molecule) -> chemaxon.molecule.Molecule:

Molecule standardization

More information about molecule standardsization: https://docs.chemaxon.com/display/docs/standardizer_working-with-standardizer.md

Parameters

mol: str - Input molecule object.

Raises

RuntimeError: If the molecule contains more than 800 atoms / bonds.

Returns

Molecule - The standardized molecule.