chemaxon.io.importer

def import_mol(mol: str, options: str = '') -> chemaxon.molecule.Molecule:

Molecule import

You can find more information about file formats and options on the following link: https://docs.chemaxon.com/display/docs/formats_index.md

Here you can find the supported formats: https://docs.chemaxon.com/display/docs/python-api_limitations.md

Parameters
  • mol: str - Input molecule string
  • options: str - This option is to specify the input format and options for the import
Raises
  • RuntimeError: If the molecule contains more than 800 atoms / bonds
Returns

Molecule - The imported molecule

def open_for_import(file_path: str, format: str = '') -> chemaxon.io.importer._MolImporter:

Factory function to create a molecule importer for importing molecules from a file. More info about file formats and options: https://docs.chemaxon.com/display/docs/formats_index.md Here you can find the supported formats: https://docs.chemaxon.com/display/docs/python-api_limitations.md.

Parameters
  • file_path: the path of the file to be imported.
  • format: the format of the file to be imported, e.g. "sdf", "mol", "smiles". If empty string autodect is used. Default is auto-detect.
Returns

An instance of the molecule importer. Supported methods: read(), close()