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- import pdb
- import atom
- import sys
- from structure import *
-
- if(len(sys.argv)<2):
- print("Not enough arguments! Run with --help to learn more about proper"
- "call structure and parameters.")
- else:
- pdb_file = pdb.PDBFile(sys.argv[1])
- # print(pdb_file.residues[15].atoms["C"].coord_x)
- #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)
- #print(pdb_file.residues[2].atoms["H"].coord_x)
- #print(pdb_file.residues[2].h_bond(pdb_file.residues[40]))
- #print(get_turns(pdb_file.residues))
- #print(pdb_file.residues[27].h_bond(pdb_file.residues[28]))
- #print(get_bridges(pdb_file.residues))
- turns = get_turns(pdb_file.residues)
- get_helix(pdb_file.residues, turns)
- get_bends(pdb_file.residues)
- get_chirality(pdb_file.residues)
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