Hi Hari,

for whatever it's worth, if you run phenix.refine from the command line the parameter "ncs.find_automatically=False" will preserve your original NCS selections. Otherwise, "ncs.find_automatically=True", phenix.refine will use your original NCS selections as a starting point to determine the new ones.

Pavel.


On 3/25/10 3:58 AM, hari jayaram wrote:
Hi I am quite sure I am doing something wrong , but the refinement seems to always re-determine the NCS definitions despite it being set in the ncs.params file in the project defaults directory.

Here is what I did:

  1. I set the NCS groups definition in the GUI to go from residues 35:445 , 
  2. I check that using the view pick . Everything looks fine 
  3. I click the Green update and exit button
  4. I look at the ncs.params file in the project defaults directory and it indeed reflects the changes . 
  5. I start the refinement from the GUI and the ncs section seems to have been reset to 26:450 .  I even tried adding the ncs.params file to the Input files section, but to no avail. The ncs seems to always get re-determined and I end up getting an excessive distance stoppage of refinement. I even made sure I dont have the Find NCS restraints automatically button checked.

Any idea why I cannot get the gui run refinement to remember my ncs definitions.

Thanks in advance
Hari


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