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Hi Hari,<br>
<br>
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.<br>
<br>
Pavel.<br>
<br>
<br>
On 3/25/10 3:58 AM, hari jayaram wrote:
<blockquote
cite="mid:aad3caa31003250358o2d9960e5w2f9d79c7414ab418@mail.gmail.com"
type="cite">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.
<div><br>
</div>
<div>Here is what I did:</div>
<div><br>
</div>
<div>
<ol>
<li>I set the NCS groups definition in the GUI to go from residues
35:445 , </li>
<li>I check that using the view pick . Everything looks fine </li>
<li>I click the Green update and exit button</li>
<li>I look at the ncs.params file in the project defaults directory
and it indeed reflects the changes . </li>
<li>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.</li>
</ol>
<div><br>
</div>
<div>Any idea why I cannot get the gui run refinement to remember my
ncs definitions.</div>
<div><br>
</div>
<div>Thanks in advance</div>
<div>Hari</div>
<div><br>
</div>
</div>
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</pre>
</blockquote>
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