Hi Engin, since the model gets improved during refinement (hopefully), it is a good idea to update NCS restraints based on improved model, so the default behavior. The use of NCS restraints in phenix.refine is explained in the manual: http://www.phenix-online.org/documentation/refinement.htm#anch24 I admit that the automatic NCS determination has a room for improvement, but once again: ideally it should be done fully automatically and be updated as model gets improved. It is in my list... As it is now it's always good to check the automatic choice (as Ralf mentioned). Pavel. On 5/18/09 3:33 PM, Engin Ozkan wrote:
Also, don't forget to add ncs.find_automatically=false
I have run many runs with NCS defined with proper syntax, just to be overwritten by NCS derived automatically by phenix, until I realized what was happening. I have always thought that if I define the NCS restraints, phenix should follow it, not try to "improve" upon it. What is the reason for this default behavior?
Engin