schrodinger.application.livedesign.ld_ligand_strain_utils module

schrodinger.application.livedesign.ld_ligand_strain_utils.parse_ligand_strain_results(ligand_strain_outfile: str, lig_prot_dict: dict, corpid_dict: dict[str, str], grid_file: str, backend: schrodinger.job.jobcontrol._Backend) list[dict]

Parse the results from the Ligand Strain calculation.

  • ligand_strain_outfile – The output file from the Ligand Strain calculation

  • lig_prot_dict – A dictionary of ligand-protein complexes

  • corpid_dict – dict of structure titles to corp_id

  • grid_file – The grid file used for the best Glide docking

  • backend – the _Backend object of Jobcontrol


A list of result dictionaries