[phenixbb] WAS: changing TLS groups mid refinement _- Scalepack and Truncation

Felix Frolow mbfrolow at post.tau.ac.il
Mon May 17 22:44:58 PDT 2010

As far as I remember from my early encounters with Denzo and Scalepack during my visit to Yale University in the beginning of 90's (Alan Friedman, if you are listening, thank you for that)  Scalepack already is doing sort of "tinkering" and French&Wilson statistics known in other places that claim priority as Haiker statistics, is not necessary. However maybe I am wrong, and input from Otwinowsky or/and Minor may clarify situation.

Dr  Felix Frolow
Professor of Structural Biology and Biotechnology
Department of Molecular Microbiology
and Biotechnology
Tel Aviv University 69978, Israel

Acta Crystallographica D, co-editor

e-mail: mbfrolow at post.tau.ac.il
Tel:           ++972 3640 8723
Fax:          ++972 3640 9407
Cellular:   ++972 547 459 608

On May 18, 2010, at 01:35 , Nathaniel Echols wrote:

> On Mon, May 17, 2010 at 3:18 PM, Ed Pozharski <epozh001 at umaryland.edu> wrote:
> I have always used denzo/scalepack, and then scalepack2mtz to
> convert .sca file to .mtz file.  So my data is always processed
> according to French&Wilson.
> Now from what you are saying I understand that there is some possibility
> to get into using non-truncated data with phenix?  And not only that, it
> seems to be the default?
> FYI, AutoSol, AutoMR, and Phaser all accept scalepack files as input (or d*TREK or XDS, I think), and generate MTZ files as output, so if a user jumps directly from HKL2000 to Phenix, it would be very easy to skip the French&Wilson step.  The need to run an extra conversion step in a different suite is not going to be obvious to grad students (and many if not most postdocs).
> We've discussed implementing the French&Wilson protocol in CCTBX, but I don't know how much work that is (since I still don't know what it actually does after reading this entire discussion).
> -Nat
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