<div dir="ltr">On Sun, Apr 6, 2014 at 4:47 PM, Jorge Iulek <span dir="ltr"><<a 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></div></div></div>