[phenixbb] fixing backbone of selected part during phenix.refine -PS

[Raja Dey]

Hi Pavel,
             Many thanks for the example. This will certainly be helpful.

Raja 

----- Original Message -----
From: Pavel Afonine <PAfonine at lbl.gov>
Date: Thursday, April 8, 2010 4:38 pm
Subject: Re: [phenixbb] fixing backbone of selected part during phenix.refine -PS
To: PHENIX user mailing list <phenixbb at phenix-online.org>

> A quick remark:
> 
> in the example below the atoms in "chain A and resseq 20:50 and 
> backbone" will not move but they will participate in calculations 
> of the restraints, including NCS. Use NCS groups definition to 
> exclude these atoms from NCS.
> 
> Pavel.
> 
> 
> On 4/8/10 4:16 PM, Pavel Afonine wrote:
> >Hi Raja,
> >
> >>   Does PHENIX can keep fix the backbone of a selected part in 
> one chain during refinement using phenix.refine? 
> >
> >you can exclude from refinement any selected part of your 
> structure (SA is exception).
> >
> >>If yes, can someone tell me the command line promt. 
> >
> >phenix.refine model.pdb data.mtz refine.sites.individual="not 
> (chain A and resseq 20:50 and backbone)"
> >
> >More atom selection syntax examples:
> >
> >http://www.phenix-online.org/documentation/refinement.htm#anch82
> >
> >Pavel.
> >
> >
> >
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