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Aug 3rd, 2015
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  1. #!/usr/bin/env python
  2. #
  3. # Usage: ./program <dssp dat file>
  4. #
  5. import sys
  6. #
  7. keys = {'~':'Coil' ,
  8. 'E':'B-Sheet' ,
  9. 'B':'B-Bridge',
  10. 'S':'Bend' ,
  11. 'T':'Turn' ,
  12. 'H':'A-Helix' ,
  13. 'I':'5-Helix' ,
  14. 'G':'3-Helix' }
  15. #
  16. def read(fname):
  17. f = open(fname, 'r')
  18. lines = []
  19. for line in f.readlines():
  20. lines.append(line.strip('\n'))
  21. f.close()
  22. return lines
  23. #
  24. def analyze(list):
  25. size = float(list[0])
  26. lines = list[1:]
  27. nlist = []
  28. for idx, line in enumerate(lines):
  29. a = 0; b = 0
  30. for elem in line:
  31. if elem in ('H', 'I', 'G'):
  32. a += 1
  33. elif elem in ('E'):
  34. b += 1
  35. nlist.append([idx+1, a/size*100, b/size*100])
  36. return nlist
  37. #
  38. def write(fname, list):
  39. f = open(fname, 'w')
  40. for elem in list:
  41. f.write('%5f\t%9.5f\t%9.5f\n' %(elem[0]/1e4, elem[1], elem[2]))
  42. f.close()
  43. return
  44. #
  45. if __name__ == '__main__':
  46. ilist = read(sys.argv[1])
  47. flist = analyze(ilist)
  48. write('dump.xvg', flist)
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