Example #1
0
 def handle(self, *args, **options):
     print("Working on file {}".format(options['pdb_file']))
     header = parse_pdb_header(options['pdb_file'])
     print(header['compound'])
     sp = SequenceParser(options['pdb_file'])
     c = list(sp.mapping.keys())[0]
     poly = sp.get_chain_peptides(c)
     for peptide in poly:
         print("Start: {} Stop: {} Len: {}".format(peptide[0].id[1], peptide[-1].id[1], len(peptide)))
         sp.map_to_wt_blast(c, peptide, None, int(peptide[0].id[1]))
     sp.map_seqres()
     sp.save_excel_report("test.xlsx")
     #sp.get_report()