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Jun 24th, 2019
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  1. import sys
  2.  
  3. try:
  4. input_file_name = sys.argv[1]
  5. except IndexError:
  6. print("Usage: python pdb_model_renum.py my_ensemble.pdb")
  7. sys.exit()
  8.  
  9. output_file = open(input_file_name.split(".")[0] + "_renum.pdb", "w")
  10.  
  11. model_n = 1
  12.  
  13. for line in open(input_file_name):
  14. if line.startswith("MODEL"):
  15. output_file.write("MODEL " + str(model_n) + "\n")
  16. model_n += 1
  17. else:
  18. output_file.write(line)
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