Dear colleagues,
When restarting phenix followed by opening the "MR-Rosetta(beta)" the Settings-Directories need to be reset each time?
How can I set
Rosetta binary directory name:
Rosetta binary name:
Rosetta script directory name:
Rosetta database directory name:
in Settings-Directories of "MR-Rosetta(beta)" wizard (or elsewhere) so that they do not change each time I restart the phenix-GUI?
These settings are not changed:
Base output folder:
Rosetta path:
Likely "Rosetta path" does not change between phenix-GUI restarts since PHENIX_ROSETTA_PATH is set in the shell as:
echo $PHENIX_ROSETTA_PATH
/software/apps/rosetta/2014.35/gcc01/rosetta_2014.35.57232_bundle
The "Path to Rosetta" in "Phenix preferences - Wizards" is currently left blank since $PHENIX_ROSETTA_PATH is set in the shell.
I have by accident started a few jobs with mixed (new and old) settings and phenix-GUI starts without error messages and all processors are running 100% CPU, however likely in some infinite loop since no work is performed beyond "place model"...
Best regards,
Martin
Martin Moche, Ph.D.
Head of Protein Crystallography
Karolinska Institutet
MBB/PSF
Scheeles väg 2
171 77 Stockholm
Sweden
phone: +46-8-524 868 43
mobile: +46-73-322 93 27
fax: +46-8-524 868 68
email:
[email protected]