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Mar 27th, 2017
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  1. from sys import argv
  2. import argparse
  3.  
  4. script,infile,outfile, reference = argv
  5. Ter = []
  6. res = []
  7.  
  8.  
  9. def get_Ter(reference):
  10. reference_1 = open(reference,"r")
  11. for line in reference_1:
  12. contents = line.split(" ")
  13. if contents[0] == "TER":
  14. resnum = line[22:27]
  15. resname = line[17:20]
  16. chain = line[21]
  17. Ter.append(resnum)
  18.  
  19. def find_TER(infile,outfile):
  20. with open(infile, "r") as infile_1:
  21. content = infile_1.readlines()
  22. with open(outfile, "w+") as outfile_1:
  23. outfile_1.write(content)
  24. if line[0:6] == "ATOM ":
  25. resnum_1 = line[22:27]
  26. res.append(resnum_1)
  27. if resnum_1 in res == resnum in Ter:
  28. outfile_1.write(line + "nTER")
  29.  
  30. find_TER(infile,outfile)
  31. get_Ter(reference)
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