Réimplémentation du programme DSSP en Python

dssp.py 741B

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  1. import pdb
  2. import atom
  3. import sys
  4. from structure import *
  5. if(len(sys.argv)<2):
  6. print("Not enough arguments! Run with --help to learn more about proper"
  7. "call structure and parameters.")
  8. else:
  9. pdb_file = pdb.PDBFile(sys.argv[1])
  10. # print(pdb_file.residues[15].atoms["C"].coord_x)
  11. #print(pdb_file.residues[2].atoms["N"].res_seq_nb, pdb_file.residues[2].atoms["N"].coord_x, pdb_file.residues[2].atoms["N"].coord_y, pdb_file.residues[2].atoms["N"].coord_z)
  12. #print(pdb_file.residues[2].atoms["H"].coord_x)
  13. #print(pdb_file.residues[2].h_bond(pdb_file.residues[40]))
  14. #print(get_turns(pdb_file.residues))
  15. #print(pdb_file.residues[27].h_bond(pdb_file.residues[28]))
  16. print(get_bridges(pdb_file.residues))