[phenixbb] B factor statistics
pafonine at lbl.gov
Thu Mar 24 09:40:09 PDT 2011
1) phenix.model_vs_data will do this:
phenix.model_vs_data model.pdb data.mtz
2) refinement log file has some extra information.
3) I guess PDB file header contains this too in REMARK 3 section.
On 3/24/11 6:43 AM, Yuri wrote:
> Hello phenixers,
> I am putting together a crystallography table for my model, what is
> the best way to find the average B factors.
> Are they broken down by main chain, side chain and HOH?
> thank you
> Yuri Pompeu
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