comparison calculate_pore_diameter_aqp.py @ 12:0948dffa06f9 draft

"planemo upload for repository https://github.com/mesocentre-clermont-auvergne/aubi_piaf commit 9167288bf44ec486f68dade6f4fca41728690dd6-dirty"

11:24449f8d1687

    )
    parser.add_argument(
        "--xtc_file_ext", type=str, nargs=1, help="""My input .xtc file"""
    )
    parser.add_argument(
        "-w", "--work_directory", type=str, nargs=1,
        help="""It's work Directory"""
    )
    parser.add_argument(
        "-od",
        "--output_directory",

    else:
        resid_arr2 = args.arr_second
    df_final = create_final_dataframe(resid_arr1, resid_arr2,
                                      resid_npa1, resid_npa2, u)
    if len(output_directory) > 2:
        if not os.path.exists(output_directory):
            os.makedirs(output_directory)
        os.chdir(output_directory)
    if len(output) > 2:
        df_final.to_csv(output, sep="\t", index=False)
    else:
        file_name_tabular = out_file_name + "PairDist.tabular"

12:0948dffa06f9

    )
    parser.add_argument(
        "--xtc_file_ext", type=str, nargs=1, help="""My input .xtc file"""
    )
    parser.add_argument(
        "-w", "--work_directory", type=str, default="./",
        help="""It's work Directory"""
    )
    parser.add_argument(
        "-od",
        "--output_directory",

    else:
        resid_arr2 = args.arr_second
    df_final = create_final_dataframe(resid_arr1, resid_arr2,
                                      resid_npa1, resid_npa2, u)
    if len(output_directory) > 2:
        try:
            os.makedirs(output_directory, exist_ok=True)
        except OSError:
            print("Directory '%s' can not be created")
        os.chdir(output_directory)
    if len(output) > 2:
        df_final.to_csv(output, sep="\t", index=False)
    else:
        file_name_tabular = out_file_name + "PairDist.tabular"