[phenixbb] Using phenix_rosetta_refine

[Jan Gebauer]

Dear all,

I tried to install phenix.rosetta_refine for a recently solved
structure, which only diffracts up to 3.5-4.0 Angstrom (anisotropic). 
However, I was unable to get the programs correctly set up.

I first tried to compile phenix 1.8.4-1496 from source according to this
documentation :
http://www.phenix-online.org/version_docs/dev-1500/rosetta_refine.htm.
The build process failed during GTK2 building, without an obvious
explanation (error code 1, no missing libraries ...)
I then realised that the developer version are potentially more
suitable, as they seem to be prepared for this. I installed the binary
from 1523 and tried to start the building process from there with

rosetta.build_phenix_interface nproc=X

Unfortunatelly Rosetta 3.5 seems to have a different folder structure. There is no main subfolder, instead there are "rosetta_sources", "rosetta_tools" and so one.
After a fast "cp rosetta_sources main/source/" it worked a bit but still exited with: 


scons: *** Error converting option: extras
Invalid value(s) for option: python
File ..... /setup.py, line 72, in setup_build_options

I have the following questions:
1) Am I right to assume that I do NOT have to recompile the dev 1523
(1520 states "Python shared library for linux) on Linux?
2) Which rosetta version do I have to use? Does 3.5 work? There is no
3.6 on rosettacommons... (or is it hidden?)

Regards,
Jan



-- 
Dr. Jan Gebauer
AG Prof. Baumann
Institut für Biochemie / Uni-Köln
Otto-Fischer-Str. 12-14 / 50674 Köln
Fon: +49 (221) 470 3212	
Fax: +49 (221) 470 5066

http://px.uni-koeln.de/

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