[phenixbb] local B-factors
pafonine at lbl.gov
Thu Mar 24 12:59:07 PDT 2011
1) Select the domain (region) in question, say it is chains A (residues
from 1 to 1000) and B (all residues):
phenix.pdbtools model.pdb keep="chain A and resseq 1:100 or chain B"
2) Take new PDB file created at step "1)" and run
phenix.pdbtools model_new.pdb --show-adp-statistics
which will give you exactly what you want and more!
Let me know if you have any questions or problems or if I can be of any
On 3/24/11 12:51 PM, Priit Eek wrote:
> Talking about B-factors... Being a novice crystallographer I came to a problem: what's the best tool to calculate the average B-factor of a specified region (a domain) in the model, to describe the mobility of chains (or disorder in the crystal) in that region?
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