Starting mmtbx.development.electrons
on Sun May 19 12:44:31 2024 by afonine
===============================================================================

Processing files:
-------------------------------------------------------------------------------

  Found model, 7kzn_23083.pdb

Processing PHIL parameters:
-------------------------------------------------------------------------------

  No PHIL parameters found

Final processed PHIL parameters:
-------------------------------------------------------------------------------
  data_manager {
    model {
      file = "7kzn_23083.pdb"
    }
    default_model = "7kzn_23083.pdb"
  }


Starting job
===============================================================================
Distribution time : 5s
================================================================================
elec. dist.
  "ATOM      1  N   ALA K   8 .*.     N  "  :  -1e
  "ATOM     56  NZ  LYS K  11 .*.     N  "  :  -1e
  "ATOM    101  OD2 ASP K  14 .*.     O  "  :   1e
  "ATOM    142  OE2 GLU K  17 .*.     O  "  :   1e
  "ATOM    157  OE2 GLU K  18 .*.     O  "  :   1e
  "ATOM    215  OD2 ASP K  22 .*.     O  "  :   1e
  "ATOM    253  OD2 ASP K  25 .*.     O  "  :   1e
  "ATOM    347  OE2 GLU K  32 .*.     O  "  :   1e
  "ATOM    362  NZ  LYS K  33 .*.     N  "  :  -1e
  "ATOM    384  CE1 TYR K  34 .*.     C  "  :   1e
  "ATOM    437  OE2 GLU K  37 .*.     O  "  :   1e
  "ATOM    452  NZ  LYS K  38 .*.     N  "  :  -1e
  "ATOM    473  OD2 ASP K  39 .*.     O  "  :   1e
  "ATOM    565  NZ  LYS K  45 .*.     N  "  :  -1e
  "ATOM    587  NZ  LYS K  46 .*.     N  "  :  -1e
  "ATOM    609  OE2 GLU K  47 .*.     O  "  :   1e
  "ATOM    643  OD2 ASP K  49 .*.     O  "  :   1e
  "ATOM    655  NE  ARG K  50 .*.     N  "  :  -1e
  "ATOM    680  NZ  LYS K  51 .*.     N  "  :  -1e
  "ATOM    799  SG  CYS K  58 .*.     S  "  :   1e
  "ATOM    853  NE  ARG K  62 .*.     N  "  :  -1e
  "ATOM    998  OE2 GLU K  71 .*.     O  "  :   1e
  "ATOM   1029  NZ  LYS K  73 .*.     N  "  :  -1e
  "ATOM   1052  NE2 HIS K  74 .*.     N  "  :   1e
  "ATOM   1309  O   LYS K  89 .*.     O  "  :  -1e
  "ATOM   1314  NZ  LYS K  89 .*.     N  "  :   2e

Validation report

  Element has strange number of electrons  C  : 1
    "ATOM    384  CE1 TYR K  34 .*.     C  "

  Element has strange number of electrons  N  : 1
    "ATOM   1052  NE2 HIS K  74 .*.     N  "

     HINT: N terminal (or break) missing hydrogen atoms

  Element has strange number of electrons  N  : 2
    "ATOM   1314  NZ  LYS K  89 .*.     N  "

  Element has strange number of electrons  O  : -1
    "ATOM   1309  O   LYS K  89 .*.     O  "

     HINT: C terminal (or break) missing oxygen atoms


===============================================================================
Job complete
usr+sys time: 7.66 seconds
wall clock time: 7.69 seconds