schrodinger.livedesign.model_io module

schrodinger.livedesign.model_io.structconvert_from_csv(rdkit_mol_csv_file, outfile)

Convert a CSV file containing RDKit Mol binary strings into a structure file defined by the outfile. The binary strings can be of atomistic or coarse grain RDKit Mols.

Parameters

• rdkit_mol_csv_file – CSV file containing RDKit Mol binary strings

• outfile – Output file to write the converted structure(s)