chemaxon.io.exporter

def export_mol(mol: chemaxon.molecule.Molecule, format: str) -> str:

Molecule export

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: Molecule - Input molecule
  • format: str - This option is to specify the format and options for the export
Returns

str - The exported molecule

def open_for_export(file_name: str, format_opts: str) -> chemaxon.io.exporter._MolExporter:

Factory function to create an instance of the molecule exporter with which molecules can be exported into files in the supported formats. For these, refer to: https://docs.chemaxon.com/display/docs/python-api_limitations.md. For more information about file formats and format options, see: https://docs.chemaxon.com/display/docs/formats_index.md.

Parameters
  • file_name: str - The file path, where to export molecule data.
  • format_opts: str - The file format (e.g.: sdf,smiles. cxon, etc.)
Returns

An exporter instance. Supported methods: write(Molecule), flush(), close()