[phenixbb] pdb LINK record lost after phenix refine in GUI

luzuok luzuokun at 126.com
Wed Jul 15 18:04:43 PDT 2015


Dear all,  
Although Custom geometry restrains was added (see log). After phenix refine, the link record was lost and there seem no bond between this two atoms (1.44 angstrom).
Do you think this is a real bond? How to maintain this record?
Any comment is appreciated!
Best regards!

Data resolution: 2.4
Phenix version:v2.7

phenix refine log:
    ======================== Summary of geometry restraints =======================

  Number of disulfides: simple=1, symmetry=0
    Simple disulfide: pdb=" SG  CYS A 482 " - pdb=" SG  CYS A 484 " distance=2.04
  Custom bonds:
    bond:
      atom 1: "ATOM   1205  OG  SER A 265 .*.     O  "
      atom 2: "HETATM 3413  C23 AIX A 700 .*.     C  "
      symmetry operation: x,y,z
      distance_model:   1.339
      distance_ideal:   1.330
      ideal - model:   -0.009
      slack:            0.000
      delta_slack:     -0.009
      sigma:            0.2000
    Total number of custom bonds: 1
  Time building geometry restraints manager: 0.20 seconds

pdb file LINK record:
LINK         OG  SER A 265                 C23 AIX A 700     1555   1555  




--



Lu Zuokun, Ph.D. Candidate
College of Life Science, Nankai University
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