Not sure if this is your problem, but I had a different issue with
using this version of refmac5 from the OSX binaries off the CCP4
website. I upgraded to the latest version off of Garbs website and
everything seems to be back normal or a least consistent across
various platforms.
Leonard Thomas Ph.D.
Macromolecular Crystallography Laboratory Manager
University of Oklahoma
Department of Chemistry and Biochemistry
620 Parrington Oval
Norman, OK 73019
lmtho...@ou.edu
http://barlywine.chem.ou.edu
Office: (405)325-1126
Lab: (405)325-7571
On May 20, 2009, at 12:32 PM, Seema Mittal wrote:
Hi All,
We recently upgraded to ccp4suite 6.1.1 version and have been
experiencing some issues while running refmac_5.5.0088 (for tls
refinement) through this ccp4 interface. We use these softwares
through sbgrid. I would really appreciate any help to troubleshoot
this issue.
The issue is:
While running tls and restrained refinement, the program doesn't
perform the given no. of tls refinements. For e.g., if you ask it to
perform 10 TLS and 5 restrained refinement rounds, it'll run may be
2 or 3 rounds of TLS and then jump to restrained refinement rounds
and finish the job. It is, however, finishing the given no. of
restrained refinements every-time. There is no error message or any
indication of abrupt ending to tls refinements in the log file either.
I am not sure if it is an issue with the latest ccp4suite 6.1.1
interface or refmac_5.5.0088 or something else is going on. Please
advice.
Thanks a bunch,
Seema Mittal
