[phenixbb] Rigid body refinement question

Pavel Afonine PAfonine at lbl.gov
Thu Apr 29 20:33:59 PDT 2010

Yes, you can:

phenix.refine model.{pdb,mtz} strategy=individual_sites+rigid_body 
refine.sites.rigid_body="resseq 1" refine.sites.individual="not resseq 1"

In the above command the residue number 1 will be refined as a rigid 
body while the coordinates of the rest will be refined individually.


On 4/29/10 2:17 PM, Ralf W. Grosse-Kunstleve wrote:
>> Is it possible to specify individual residues of a chain to undergo rigid
>> refinement while the rest of the chain does regular refinement?
> No, sorry.
> Ralf
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