[phenixbb] B factor statistics

Pavel Afonine pafonine at lbl.gov
Thu Mar 24 09:40:09 PDT 2011

  Hi Yuri,

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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