[phenixbb] phenix rosetta refine
kaiser at caltech.edu
Mon Jul 6 13:55:45 PDT 2015
Sorry for the late reply, I was away from the office last week.
Yes, I did follow these instructions. At the moment I'm using
rosetta_bin_linux_2015.22.57859_bundle and phenix-1.10pre-2084. I
requested 20 models (which I get) but there are rosetta_##.sh files
created that are empty and subdirectories _ros_temp?????? that contain
files with _adp_refine in their names. I'm just wondering if it is
really running as intended.
On Mon, 2015-06-29 at 10:25 -0700, Nigel Moriarty wrote:
> Have you followed the instructions?
> Nigel W. Moriarty
> Building 64R0246B, Physical Biosciences Division
> Lawrence Berkeley National Laboratory
> Berkeley, CA 94720-8235
> Phone : 510-486-5709 Email : NWMoriarty at LBL.gov
> Fax : 510-486-5909 Web : CCI.LBL.gov
> On Sat, Jun 27, 2015 at 2:38 AM, Jens Kaiser <kaiser at caltech.edu>
> Hey there,
> who would be the person to talk about setting up
> phenix.rosetta_refine? I tried our SBgrid installation with
> overrides to
> "nightly" for phenix and rosetta; I tried a clean install of
> rosetta and
> phenix - production version and nightly's in all combinations
> - and all
> combinations of compiling (rosetta first, then
> rosetta.build_phenix_interface, phenix first, then
> rosetta.build_phenix_interface). The problem is that
> "phenix.rosetta_refine" seems to run, and produce a log file
> that looks
> reasonable, but geometry params are worse than with an
> ordinary refine.
> I think I tracked it down to the fact that the "rosetta_XX.sh"
> files are
> empty, and rosetta actually does not run.
> Any help is welcome - and any support will be extended.
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