[phenixbb] low-res. real-space refinement

"Weiergräber, Oliver H." o.h.weiergraeber at fz-juelich.de
Tue Mar 26 02:00:46 PDT 2013


Hello,

when refining a protein structure against a low-resolution dataset (5 A), I wanted to also attempt real-space refinement.
However, in the log file I find:

|-real space refinement (target=simple)---------------------------------------|
 rejected...
|                                                                             |
| --------------------------------------------------------------------------- |

Changing the target to, e.g., diff_map does not change anything; the message will still refer to the "simple" target.
I guess this is due to an internal resolution limit, but that's only speculation since it seems to be undocumented.
Indeed, there is probably not much to be gained by real-space refinement at this resolution (at least not in terms of side-chain conformations), but I wanted to give it a try anyway.

Any comments on this issue?

Regards,
Oliver



================================================
  PD Dr. Oliver H. Weiergräber
  Institute of Complex Systems
  ICS-6: Structural Biochemistry
  Tel.: +49 2461 61-2028
  Fax: +49 2461 61-9540
================================================



------------------------------------------------------------------------------------------------
------------------------------------------------------------------------------------------------
Forschungszentrum Juelich GmbH
52425 Juelich
Sitz der Gesellschaft: Juelich
Eingetragen im Handelsregister des Amtsgerichts Dueren Nr. HR B 3498
Vorsitzender des Aufsichtsrats: MinDir Dr. Karl Eugen Huthmacher
Geschaeftsfuehrung: Prof. Dr. Achim Bachem (Vorsitzender),
Karsten Beneke (stellv. Vorsitzender), Prof. Dr.-Ing. Harald Bolt,
Prof. Dr. Sebastian M. Schmidt
------------------------------------------------------------------------------------------------
------------------------------------------------------------------------------------------------


More information about the phenixbb mailing list