diff --git a/scripts/mof_solvent_removal_2017_chem_mater_publication/Command_prompt_MOF_solvent_removal.py b/scripts/mof_solvent_removal_2017_chem_mater_publication/Command_prompt_MOF_solvent_removal.py index 947a7e8..5ed1121 100644 --- a/scripts/mof_solvent_removal_2017_chem_mater_publication/Command_prompt_MOF_solvent_removal.py +++ b/scripts/mof_solvent_removal_2017_chem_mater_publication/Command_prompt_MOF_solvent_removal.py @@ -45,7 +45,10 @@ args = arg_handler.parse_args() if not args.output_directory: - args.output_directory = os.path.dirname(args.input_file) + args.output_directory = os.path.abspath(os.path.dirname(args.input_file)) + +if not os.path.exists(args.output_directory): + os.makedirs(args.output_directory) # Define the solvent smiles patterns if not args.solvent_file: