[phenixbb] phenix.elbow error

Eugene Osipov e.m.osipov at gmail.com
Fri Mar 8 05:47:10 PST 2019

Dear phenix developers,
I have found that QM calculations in phenix.elbow fail due to an error:
*bad fp number.*
I've found the source of the error in
at line 11:
easy_run.call('./%s.csh >& /dev/null' % project)
should be :
easy_run.call('./%s.csh 2>&1 /dev/null' % project)

Also jaguar template (phenix-1.14-3260/modules/elbow/Jaguar.csh) is a bit
outdated. For $SCHRODINGER/jaguar paramether -PROC was replaced by
also, it seems that programs seeks for wrong input file.
So I suggest that:
should look like:

Can you please fix this issues in next releases?

Evgenii Osipov
Laboratory for Biocrystallography,
Department of Pharmaceutical Sciences,
KU Leuven O&N2
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://phenix-online.org/pipermail/phenixbb/attachments/20190308/8b8c918e/attachment-0001.htm>

More information about the phenixbb mailing list