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)