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Yes, SA and real-space refinement are done (if enabled) for all
atoms. No particular reason for this. It just needs to be fixed.<br>
<br>
Pavel<br>
<br>
<div class="moz-cite-prefix">On 4/6/14, 6:03 PM, Nathaniel Echols
wrote:<br>
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<blockquote
cite="mid:CALeAa1PZ640f587ua=hDiovoVc2c4k_r5NOK7jQGuRPq7PcWfw@mail.gmail.com"
type="cite">
<div dir="ltr">On Sun, Apr 6, 2014 at 4:47 PM, Jorge Iulek <span
dir="ltr"><<a moz-do-not-send="true"
href="mailto:iulek@uepg.br" target="_blank">iulek@uepg.br</a>></span>
wrote:<br>
<div class="gmail_extra">
<div class="gmail_quote">
<blockquote class="gmail_quote" style="margin:0 0 0
.8ex;border-left:1px #ccc solid;padding-left:1ex">
I want to test a refinement in which I fix part of my
structure (say, residues 1 to 244 in chains C and D, and
chains A and B completely) while the rest is to be refined
with annealing.<br>
...<br>
I thought atoms out of the selection in the output
structure (chains A and B + residues 1 to 244 in chains C
and D) would keep the same coordinates as they were input.
But I see all structure atoms changed coordinates. I also
tried to turn off tls and ncs usage, but the picture is
the same.<br>
What do I miss here, to be able to fix some atoms
during refinement?<br>
</blockquote>
<div><br>
</div>
<div>I think the annealing may only work with the entire
model and ignore the atom selection completely.</div>
<div><br>
</div>
<div>-Nat</div>
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