[phenixbb] project defaults ncs.params not read or overridden/overwritten by GUI?

Pavel Afonine PAfonine at lbl.gov
Thu Mar 25 08:36:02 PDT 2010

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.


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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