On Thu, Jul 12, 2012 at 9:49 AM, Pavel Afonine <span dir="ltr"><<a href="mailto:pafonine@lbl.gov" target="_blank">pafonine@lbl.gov</a>></span> wrote:<br><div class="gmail_quote"><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div bgcolor="#FFFFFF" text="#000000">
<div>here is a solution, not nice though:<br>
<br>
step 1: get a pdb file with chain in question:<br>
<br>
phenix.pdbtools model.pdb keep="chain A"
output.file_name="chain_A.pdb"<br>
<br>
step 2: then this will give you average B<br>
<br>
phenix.pdbtools chain_A.pdb model_statistics=true<br>
<br>
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.</div></div></blockquote><div><br></div><div>Since this question has come up before, I've added a window for displaying this in the GUI. �Clicking the magnifying glass icon next to any PDB file will already open a panel showing an overview of the model contents, and now there will also be a button labeled "B-factors by chain" for any file with multiple chains. �Clicking this button will display the isotropic B-factors statistics by chain. �Under the circumstances, I'm assuming the B-factor field in the PDB file is already the total B-factor.</div>
<div><br></div><div>This will be available in the next nightly build.</div><div><br></div><div>-Nat</div></div>