On Thu, Jul 12, 2012 at 9:49 AM, Pavel Afonine <pafonine@lbl.gov> wrote:
here is a solution, not nice though:
step 1: get a pdb file with chain in question:
phenix.pdbtools model.pdb keep="chain A" output.file_name="chain_A.pdb"
step 2: then this will give you average B
phenix.pdbtools chain_A.pdb model_statistics=true
Other suggestions (by David & Christian) might work too, but I have no idea how these programs handle TLS contribution to ADP and ANISOU records. Though since phenix.refine outputs total ADPs I guess this should be just fine.