On Jun 2, 2009, at 9:48 AM, Pavel Afonine wrote:
1) start phenix.refine GUI; 2) load in your model and data; 3) Under "Refinement settings" click (once or twice, figure out) on "Individual sites". This will pop up the selection window "Selections for individual site refinement". Type in atom selections for atoms that you want to refine (or that you don't want to refine with leading "not").
The easier way to edit the selection: Settings menu -> Atom selections -> Coordinate refinement (the first selection is for the "individual sites" strategy, although this isn't very clearly labeled right now). One other clarification: "None" is the default for many of these selections, but that usually means that phenix.refine will pick the selection automatically. I believe that for the individual sites strategy, "None" is equivalent to "all". (Use "not all" to select zero atoms.) ------------------- Nathaniel Echols Lawrence Berkeley Lab 510-486-5136 [email protected]