I really dont think this is a very good idea - B values are correlated
to the optimum position of the atom - if thast is a fraction of an A out
the B factor will be much higher than it should be..
Eleanor
Hailiang Zhang wrote:
> Dear Pavel:
>
> Thanks a lot! I will try phenix.refine!
>
> Best Regards, Hailaing
>
>> Hi Hailiang,
>>
>> you didn't specify which program you are using...
>>
>> For example, you can do it in phenix.refine:
>>
>> phenix.refine model.pdb data.mtz strategy=individual_adp
>> adp.individual.iso="chain A and resseq 123"
>>
>> which will refine isotropic ADPs for residue number 123 in chain A only,
>> or
>>
>> phenix.refine model.pdb data.mtz strategy=individual_adp
>> adp.individual.aniso="chain A and resseq 123"
>>
>> which will refine anisotropic ADPs for residue number 123 in chain A only.
>>
>> You can do it in Shelxl too. Don't know about other programs.
>>
>> Pavel.
>>
>> On 8/15/10 10:35 AM, Hailiang Zhang wrote:
>>> Hi there:
>>>
>>> For a PDB with B values refined, if I modify/addto its local structure
>>> (mutation, add 1 residue...), is there any way I can refine the B values
>>> only for the modified/added structure while keeping already refined B
>>> values unchanged?
>>>
>>> Thanks!
>>>
>>> Best Regards, Hailiang
>>
>>
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