cgexplore.utilities.rmsd_checker¶ cgexplore.utilities.rmsd_checker(unopt_mol, unopt_name, unopt_glob)[source]¶ Check if an un-optimised molecule has a low RMSD to another one. Parameters: unopt_mol (ConstructedMolecule) unopt_name (str) unopt_glob (list[Path]) Return type: bool