Re: [phenixbb] average temperature factor

I get it! in my case it is a right click!!! :-) On Jul 13, 2012, at 22:10 , Nathaniel Echols wrote:

On Thu, Jul 12, 2012 at 9:49 AM, Pavel Afonine 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.

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.

This will be available in the next nightly build.

-Nat _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb