2026-04-27 10:04:03 NPdock start
2026-04-27 10:04:03 ver: server
2026-04-27 10:04:03 mode: 11111
2026-04-27 10:04:03 is RNA? 0
2026-04-27 10:04:03 Interface: prot: '*K42,K77,K78,K96,K118,K147' na: '*16-30'
2026-04-27 10:04:03 Curr dir:/home/rpdock/web/media/jobs/99501ca4-95ac-42c1-9882-e2abb11c435c/
2026-04-27 10:04:03 GRAMM in progress...
2026-04-27 10:04:03 python /home/rpdock/run_gramm//run_gramm1.py -d 20000 -p prot.pdb -r na.pdb  -pi '*K42,K77,K78,K96,K118,K147' -ri '*16-30' -n 1 -pf '*' -rf '*'
2026-04-27 10:04:03 Traceback (most recent call last):
  File "/home/rpdock/run_gramm//run_gramm1.py", line 657, in <module>
    gr_res = GRAMM_Wrapper(args.Scan, args.protein, args.rna, args.protein_frag, args.rna_frag, args.protein_int, args.rna_int, n_dec)
  File "/home/rpdock/run_gramm//run_gramm1.py", line 38, in __init__
    self.big_f_first_lines, self.small_f_first_lines, self.big_int_res, self.small_int_res, self.def_p_big = self.run_gramm()
  File "/home/rpdock/run_gramm//run_gramm1.py", line 503, in run_gramm
    big_first_l, small_first_l, big_int, small_int, def_prot_b = self.edit_rmol()
  File "/home/rpdock/run_gramm//run_gramm1.py", line 154, in edit_rmol
    b_mol, s_mol, b_frag, s_frag, b_first_lines, s_first_lines, b_inter, s_inter, d_prot_big, b_st, b_en, s_st, s_en = self.size_compare() # bigger molecule will be fixed, smaller - moved
  File "/home/rpdock/run_gramm//run_gramm1.py", line 108, in size_compare
    prot_int = Interface_residues_contacts.read_input_residues(self, self.prot_inter)
  File "/home/rpdock/run_gramm/interface_residues.py", line 44, in read_input_residues
    one_def_res(res, chains)
  File "/home/rpdock/run_gramm/interface_residues.py", line 24, in one_def_res
    chain = r.split(':')[1]
IndexError: list index out of range