Dear Pavel and Nigel,
I can see:
bond pdb=" OG SER A 265 "
pdb=" C23 AIX A 700 "
ideal model delta sigma weight residual
1.330 1.339 -0.009 2.00e-01 2.50e+01 2.16e-03
I think this bond is what I want.
If I want to _see_ this bond in graphical tool, like coot or pymol, Do I have to add a link record in PDB?
You are right Nigel, I made a mistake of python and Phenix version.
Best withes!
Lu
--
Lu Zuokun, Ph.D. Candidate
College of Life Science, Nankai University
在 2015-07-16 14:21:24，"Pavel Afonine" 写道：
All connectivity information is in .geo file: check it to see if the bind in question is present there.
phenix.refine does not read/write LINK records given that all info is in .geo file, and input (custom) linking is specified via custom bonds using atom selection syntax (or clicking in the GUI).
Pavel
On 7/15/15 18:04, luzuok wrote:
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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