[phenixbb] phenix rosetta refine

[Nathaniel Echols]

On Wed, Nov 26, 2014 at 8:18 AM, Andreas Förster <docandreas at 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
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