[phenixbb] phenix rosetta refine

Andreas Förster docandreas at gmail.com
Wed Nov 26 08:18:28 PST 2014


Dear all,

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.

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.


To me it seems things are defined correctly:

andreas at csbstereo in phenix: echo $ROSETTA_BIN
/csb/soft/Linux64/share/rosetta3.5/rosetta_source/bin

andreas at csbstereo in phenix: ls $ROSETTA_BIN | grep scripts
rosetta_scripts.linuxgccrelease@
rosetta_scripts.default.linuxgccrelease@

andreas at csbstereo in phenix: ll $ROSETTA_BIN/rosetta_scripts.linuxgccrelease
lrwxrwxrwx 1 csbadmin csb 93 Oct  9  2013 
/csb/soft/Linux64/share/rosetta3.5/rosetta_source/bin/rosetta_scripts.linuxgccrelease 
-> 
../build/src/release/linux/2.6/64/x86/gcc/4.4/default/rosetta_scripts.default.linuxgccrelease


Any idea of what's wrong would be greatly appreciated.


Andreas



-- 
                   Andreas Förster
        X-ray Crystallography Facility Manager
            Centre for Structural Biology
               Imperial College London


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