[phenixbb] Can Phenix refine B factors for several residues only?
pafonine at lbl.gov
Thu Aug 26 12:51:44 PDT 2010
no problems! Let me know if you have any questions or problems with this
and I will be happy to help.
All the best!
On 8/26/10 12:50 PM, zhangh1 at umbc.edu wrote:
> Hi Pavel:
> That's cool! I should have read phenix.refine doc more carefully. I will
> give it a try and see how it comes. Thanks a lot!
> Best Regards, Hailiang
>> 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:
>>> 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
>>> Best Regards, Hailiang
>>> phenixbb mailing list
>>> phenixbb at phenix-online.org
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