[phenixbb] NCS

[Jeff Headd]

Hi Rajesh,

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.

Jeff

> Thanks
> Rajesh
>
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