[phenixbb] Can Phenix refine B factors for several residues only?

Pavel Afonine pafonine at lbl.gov
Thu Aug 26 12:07:04 PDT 2010

  Hi Hailiang,

you can easily do it in phenix.refine.


phenix.refine model.pdb data.mtz strategy=individual_adp 
adp.individual.iso="chain A and resseq 10:20"

This will refine isotropic B-factors of atoms in residues from 10 to 20 
in chain A. All the other atomic model parameters will not be refined.

Let me know if you need more examples or need any help with this.

In general, you can apply any combination of refinement strategies 
(coordinates, B-factors, etc..) to any selected part of your model.


On 8/26/10 12:00 PM, zhangh1 at umbc.edu wrote:
> Hi,
> I want to refine B factors for several residues only (all the other B
> factors and all coordinates fixed, I know it sounds weird but there is a
> reason to try that). Is there anyway Phenix can do this? Thanks for any
> suggestions!
> Best Regards, Hailiang
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