Using the command line this would look like: phenix.pdbtools model.pdb set_b_iso=20 selection=water Pavel. On 8/5/10 10:04 AM, Nathaniel Echols wrote:

On Thu, Aug 5, 2010 at 7:53 AM, Hermella Woldemdihin mailto:[email protected]> wrote:

Where can I set B-factor for water in phenix.refine on the GUI version of phenix?

Do you mean resetting the B-factors for all waters, or the B-factor for new solvent molecules when the water picking option is selected? For the latter, it is here:

Settings menu->Ordered solvent...->Initial B-factor value

(You may need to change the "user level" menu to "intermediate" or "advanced" if you don't see that control at first.)

If you want to reset B-factors for existing waters, open Settings menu->Model modifications->Modify ADPs, enter the selection for waters in the first control ("resname HOH" is usually all you need), and enter a suitable value in "Set isotropic B to:".

Of course in either case, by default phenix.refine will re-refine those initial values.

-Nat

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