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24 Mar
2011
24 Mar
'11
1:43 p.m.
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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24 Mar
24 Mar
4:40 p.m.
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. Pavel. 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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Pavel Afonine
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Yuri