[phenixbb] phenix rosetta refine

Nigel Moriarty nwmoriarty at lbl.gov
Mon Jun 29 10:25:58 PDT 2015


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> wrote:

> 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.
> Cheers,
> Jens
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