[phenixbb] project defaults ncs.params not read or overridden/overwritten by GUI?
eozkan at stanford.edu
Thu Mar 25 09:22:02 PDT 2010
Oh, I just saw, there is a Find NCS restraints automatically button in
the Refinement Settings tab. Make sure that it is checked off.
On 3/25/10 9:19 AM, Engin Ozkan wrote:
> I remember this. At least from running phenix.refine on command-line,
> there is a parameter called ncs.find_automatically. It is "True" by
> default. I remember spending several days trying to change the NCS
> selections, until I found about this parameter. So, unless you change
> this parameter to "False", your input is always written over. I am not
> sure where this might be in the GUI, but it could be the culprit. To
> see if this is the case, in the Refinement Settings tab, go to All
> Parameters -> View all settings. There, check under parameters ->
> refinement -> ncs. You can also find it in the refine_??.eff file,
> just search for this parameter.
> 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
>> Thanks in advance
>> phenixbb mailing list
>> phenixbb at phenix-online.org
> Engin Özkan
> Post-doctoral Scholar
> Laboratory of K. Christopher Garcia
> Howard Hughes Medical Institute
> Dept of Molecular and Cellular Physiology
> 279 Campus Drive, Beckman Center B173
> Stanford School of Medicine
> Stanford, CA 94305
> ph: (650)-498-7111
> phenixbb mailing list
> phenixbb at phenix-online.org
Laboratory of K. Christopher Garcia
Howard Hughes Medical Institute
Dept of Molecular and Cellular Physiology
279 Campus Drive, Beckman Center B173
Stanford School of Medicine
Stanford, CA 94305
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the phenixbb