[phenixbb] high temperature factor refinement

Pavel Afonine pafonine at lbl.gov
Fri Oct 17 08:24:19 PDT 2008

Hi Jason,

- run your model through TLSMD server to identify TLS domains (it will 
produce PHENIX friendly TLS groups selections);

- use these selections for TLS refinement in PHENIX:
for example, the command is:

phenix.refine model.pdb data.hkl 
strategy=individual_sites+individual_adp+tls  tls_selections.txt


On 10/17/2008 3:10 AM, allbette at gmail.com wrote:
> Hi All,
> I just refined a structure at 2.95A and getting a good R-work and 
> R-free(0.236 and 0.274). When I checked the PDB, I found many  
> residues have high temperature factor over 100. How can I use Phenix 
> or CNS fix those high temperature factor for further refinment?
> Thank you
> Jason
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