Hi Priit, two steps: 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 more help! Pavel. On 3/24/11 12:51 PM, Priit Eek wrote:
Hi,
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?
Regards, Priit