[phenixbb] Real-space and twin refinement

Haim Rozenberg Haim.Rozenberg at weizmann.ac.il
Mon Aug 13 07:35:56 PDT 2012


We've just downloaded and install the new dev-1129 release of phenix hoping to be able to run RS refinement on our twin structures. According to the change log it should be possible with this version.


Version 1.8.1 and nightly builds (TBA)

- phenix.refine:
  - overall B-cart now applied to individual atomic B-factors (restores
    pre-1.8 behavior)
  - improvements to torsion NCS rotamer correction
  - real-space refinement for twinned structures


Unfortunately, while trying to run - through the GUI - phenix dev-1129 with our twin setting and the "Real space" option, the usual message popped up: "PHENIX error: Real-space refinement is not available for twinned structures."  FYI, it runs just fine without the "Real-space" option.

Did we have false hopes? Did we misunderstood? Is that a bug?
All the best,

Haim Rozenberg, PhD.
Department of Structural Biology
Kimmelman Building
Weizmann Institute of Science
76100 Rehovot, Israel
Phone: +972-8-9344289                  FAX:+972-8-9344136
E-Mail:  haim.rozenberg at weizmann.ac.il<mailto:haim.rozenberg at weizmann.ac.il>

    "Quis custodiet ipsos custodes?"   D.I.  Iuvenalis

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