ccp4_sc at hotmail.com
Fri Mar 9 09:48:23 PST 2012
Thanks. Very helpful.
Date: Fri, 9 Mar 2012 10:43:38 -0700
From: jjheadd at lbl.gov
To: phenixbb at phenix-online.org
Subject: Re: [phenixbb] NCS
On Mar 9, 2012 10:15 AM, "Rajesh kumar" <ccp4_sc at hotmail.com> wrote:
> Dear All,
> I used "find NCS restraints automatically", " NCS restraints", and NCS type-torsion angle. Log file has following lines suggesting that it has found NCS and has applied (Am I right?). [ PHENIX (phenix.refine: 1.7.3_928)]
> Updating torsion NCS restraints...
> Number of torsion NCS restraints: 4736
> 1. PDB file header doesn't have anything written on NCS. I thought PDB file should have it. Am I missing something?
This is a great point. There should probably be NCS output in the PDB header. If you used torsion NCS restraints, a list of matching residues is printed in the .log file.
> 2. What is difference between NCS type, global and torsion angle, and when they are preferred over the other?
Global NCS uses Cartesian-based restraints, which force the matching chains to be identical. Torsion NCS restraints are new, and restrain matching torsion angles, but are flexible and allow differences between related chains.
In general torsion NCS restraints perform better, and are safe to use with even high resolution data where differences between chains can be more pronounced in the map.
If you have further questions please let me know.
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