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Add error alerts for folder_with_pdbs .pdb error #79

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Add error alerts for folder_with_pdbs .pdb error #79

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6 changes: 5 additions & 1 deletion helper_scripts/parse_multiple_chains.py
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Original file line number Diff line number Diff line change
Expand Up @@ -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
Expand Down Expand Up @@ -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+'/'

Expand Down