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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