rdkit.Chem.ChemUtils.SDFToCSV module¶
- rdkit.Chem.ChemUtils.SDFToCSV.Convert(suppl, outFile, keyCol=None, stopAfter=-1, includeChirality=False, smilesFrom='')¶
- rdkit.Chem.ChemUtils.SDFToCSV.existingFile(filename)¶
‘type’ for argparse - check that filename exists
- rdkit.Chem.ChemUtils.SDFToCSV.initParser()¶
Initialize the parser for the CLI
- rdkit.Chem.ChemUtils.SDFToCSV.main()¶
Main application