[phenixbb] fixing backbone of selected part during phenix.refine -PS
rdey at usc.edu
Fri Apr 9 07:57:33 PDT 2010
Many thanks for the example. This will certainly be helpful.
----- 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.
> 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:
> >phenixbb mailing list
> >phenixbb at phenix-online.org
> phenixbb mailing list
> phenixbb at phenix-online.org
More information about the phenixbb