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strms.py

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Oct 10th, 2010
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  1. #!/C:/Python27/python.exe
  2. ##from pymol import cmd, stored
  3. import itertools as it
  4.  
  5. str1=['2cbd','1bcd','1bv3','2cbc','2hnc']
  6. ##str2=['2cba','2cbb','2ax2','3gz0','2ili']
  7.  
  8.  
  9. # Finding combinations of each item within str1 and str2
  10. str1com = list(it.combinations(str1, 2))
  11. ##str2com= list(it.combinations(str2, 2))
  12.  
  13.  
  14. # Finding combinations of each two items from str1 and str2
  15. ##allcom = list(it.product(str1, str2))
  16.  
  17. # Finding RMS value of each structure combination
  18.  
  19. for combination in str1com: # first, second, third
  20. print combination[0]
  21. print combination[1]
  22. ##cmd.fit(combination[1] + "and name ca"+"," + combination[1]+ "and name ca")
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