On Wed, Nov 26, 2014 at 8:18 AM, Andreas Förster <docandreas@gmail.com> wrote:

I'm trying to get phenix.rosetta_refine to run. I think it's all set up properly, with Rosetta 3.5 and Phenix 1810 on RHEL 6.3 64bit.

First bit of advice: don't use Rosetta 3.5, Frank has fixed a bunch of bugs since then. You'll need one of the recent weekly releases.

However

phenix.rosetta_refine model.pdb data.mtz nproc=48 protocol=full > log&

fails with the following error in log:

End of input processing
Sorry: The RosettaScripts executable could not be located. Please add the appropriate directory to your PATH environment variable, or set the variable ROSETTA_BIN to point to it.

This was a poorly written error message - that environment variable doesn't actually have the desired effect here. (It's fixed in the current code but we're overdue for a new nightly build.) The correct approach is to set the variable PHENIX_ROSETTA_PATH, which will point to the top level of the Rosetta distribution - in their newer directory layout this will have a sub-directory named "main", so if you don't see that, you're in the wrong place.

-Nat