[phenixbb] WAS: changing TLS groups mid refinement

[Nathaniel Echols]

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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