cgexplore.scram.graph_optimise_cage¶ cgexplore.scram.graph_optimise_cage(molecule, name, output_dir, forcefield, platform, database_path)[source]¶ Optimise a toy model cage. Parameters: molecule (Molecule) name (str) output_dir (Path) forcefield (ForceField) platform (str | None) database_path (Path) Return type: Conformer