<div dir="ltr">On Thu, Sep 11, 2014 at 9:43 PM, Sina Masoud-Ansari <span dir="ltr"><<a href="mailto:s.ansari@auckland.ac.nz" target="_blank">s.ansari@auckland.ac.nz</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">Finally I've noticed that rosetta_refine and mr_rosetta have slightly different options with regards to queue submission in the documentation.<br>
<br>
<a href="http://www.phenix-online.org/documentation/reference/rosetta_refine.html" target="_blank">http://www.phenix-online.org/<u></u>documentation/reference/<u></u>rosetta_refine.html</a><br>
<a href="http://www.phenix-online.org/documentation/reference/mr_rosetta.html" target="_blank">http://www.phenix-online.org/<u></u>documentation/reference/mr_<u></u>rosetta.html</a><br>
<br>
For example, rosetta_refine allows the option 'technology = slurm' but this is not listed as an option for mr_rosetta.<br>
Are they indeed different?<br></blockquote><div><br></div><div>The design and implementation of these programs is about as different as possible, because the refinement requires tighter integration between Phenix and Rosetta. phenix.rosetta_refine is using a generic API for distributing similar jobs across a number of supported clusters, which makes it much easier for us to add support for queuing systems in the individual programs in Phenix, and easier for users to invoke this support, but also requires specific code to handle the different software. So it is slightly less flexible than what MR-Rosetta (or AutoBuild, or LigandFit) is doing internally.</div><div><br></div><div>-Nat</div></div></div></div>