<div dir="ltr"><div class="gmail_extra">On Fri, Oct 25, 2013 at 7:04 AM, Jeff Headd <span dir="ltr"><<a href="mailto:jjheadd@lbl.gov" target="_blank">jjheadd@lbl.gov</a>></span> wrote:<br><div class="gmail_quote"><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div dir="ltr"><div>In theory you should be able to run DEN on a selection, but in my own simple test this did not work. I'll see if there is a bug that can be fixed.</div></div></blockquote><div><br></div><div>
I may be mistaken, but I think the torsion dynamics can only be run on the entire structure - there is an atom selection parameter for it in phenix.refine, but this doesn't actually do anything.</div><div><br></div>
<div>It wouldn't make the program faster anyway, because it's refining against reciprocal space data, and the FFT is the main bottleneck. �It would be interesting to try doing this in real space, though.</div><div>
<br></div><div style>-Nat</div></div></div></div>