<div dir="ltr">Jens<div><br></div><div>I believe that is all true and correct.</div></div><div class="gmail_extra"><br clear="all"><div><div class="gmail_signature"><div dir="ltr">Cheers<div><br></div><div>Nigel<div><br></div><div>---</div><div>Nigel W. Moriarty<br>Building 64R0246B, Physical Biosciences Division<br>Lawrence Berkeley National Laboratory<br>Berkeley, CA 94720-8235<br>Phone : 510-486-5709     Email : NWMoriarty@LBL.gov<br>Fax   : 510-486-5909       Web  : <a href="http://CCI.LBL.gov" target="_blank">CCI.LBL.gov</a></div></div></div></div></div>
<br><div class="gmail_quote">On Mon, Jul 6, 2015 at 1:55 PM, Jens Kaiser <span dir="ltr">&lt;<a href="mailto:kaiser@caltech.edu" target="_blank">kaiser@caltech.edu</a>&gt;</span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Nigel,<br>
  Sorry for the late reply, I was away from the office last week.<br>
  Yes, I did follow these instructions. At the moment I&#39;m using<br>
rosetta_bin_linux_2015.22.57859_bundle and phenix-1.10pre-2084. I<br>
requested 20 models (which I get) but there are rosetta_##.sh files<br>
created that are empty and subdirectories _ros_temp?????? that contain<br>
files with _adp_refine in their names. I&#39;m just wondering if it is<br>
really running as intended.<br>
<br>
Cheers,<br>
<br>
Jens<br>
<div class="HOEnZb"><div class="h5"><br>
On Mon, 2015-06-29 at 10:25 -0700, Nigel Moriarty wrote:<br>
&gt; Jens<br>
&gt;<br>
&gt;<br>
&gt; Have you followed the instructions?<br>
&gt;<br>
&gt;<br>
&gt; <a href="http://www.phenix-online.org/documentation/reference/rosetta_refine.html" rel="noreferrer" target="_blank">http://www.phenix-online.org/documentation/reference/rosetta_refine.html</a><br>
&gt;<br>
&gt;<br>
&gt; Cheers<br>
&gt;<br>
&gt;<br>
&gt; Nigel<br>
&gt;<br>
&gt;<br>
&gt; ---<br>
&gt; Nigel W. Moriarty<br>
&gt; Building 64R0246B, Physical Biosciences Division<br>
&gt; Lawrence Berkeley National Laboratory<br>
&gt; Berkeley, CA 94720-8235<br>
&gt; Phone : <a href="tel:510-486-5709" value="+15104865709">510-486-5709</a>     Email : NWMoriarty@LBL.gov<br>
&gt; Fax   : <a href="tel:510-486-5909" value="+15104865909">510-486-5909</a>       Web  : <a href="http://CCI.LBL.gov" rel="noreferrer" target="_blank">CCI.LBL.gov</a><br>
&gt;<br>
&gt; On Sat, Jun 27, 2015 at 2:38 AM, Jens Kaiser &lt;<a href="mailto:kaiser@caltech.edu">kaiser@caltech.edu</a>&gt;<br>
&gt; wrote:<br>
&gt;         Hey there,<br>
&gt;           who would be the person to talk about setting up<br>
&gt;         phenix.rosetta_refine? I tried our SBgrid installation with<br>
&gt;         overrides to<br>
&gt;         &quot;nightly&quot; for phenix and rosetta; I tried a clean install of<br>
&gt;         rosetta and<br>
&gt;         phenix - production version and nightly&#39;s in all combinations<br>
&gt;         - and all<br>
&gt;         combinations of compiling (rosetta first, then<br>
&gt;         rosetta.build_phenix_interface, phenix first, then<br>
&gt;         rosetta.build_phenix_interface). The problem is that<br>
&gt;         &quot;phenix.rosetta_refine&quot; seems to run, and produce a log file<br>
&gt;         that looks<br>
&gt;         reasonable, but geometry params are worse than with an<br>
&gt;         ordinary refine.<br>
&gt;         I think I tracked it down to the fact that the &quot;rosetta_XX.sh&quot;<br>
&gt;         files are<br>
&gt;         empty, and rosetta actually does not run.<br>
&gt;<br>
&gt;         Any help is welcome - and any support will be extended.<br>
&gt;<br>
&gt;         Cheers,<br>
&gt;<br>
&gt;         Jens<br>
&gt;<br>
&gt;         _______________________________________________<br>
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&gt;<br>
&gt;<br>
<br>
<br>
</div></div></blockquote></div><br></div>