diff --git a/helper_scripts/parse_multiple_chains.py b/helper_scripts/parse_multiple_chains.py index d2987781..485003d9 100644 --- a/helper_scripts/parse_multiple_chains.py +++ b/helper_scripts/parse_multiple_chains.py @@ -5,6 +5,7 @@ def main(args): import numpy as np import os, time, gzip, json import glob + import sys folder_with_pdbs_path = args.input_path save_path = args.output_path @@ -99,7 +100,10 @@ def parse_PDB_biounits(x, atoms=['N','CA','C'], chain=None): pdb_dict_list = [] c = 0 - + + if folder_with_pdbs_path[-4:]==".pdb": + sys.exit("Error in Submission Script: The fixed positions options require a folder with pdb's be passed in, not a pdb filename. Please rectifiy the \"folder_with_pdbs\" variable in your submission script.") + if folder_with_pdbs_path[-1]!='/': folder_with_pdbs_path = folder_with_pdbs_path+'/'