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
