[cctbxbb] Conversion from symmetry operation to matrix

[Nat Echols]

On Tue, Jul 12, 2011 at 12:51 PM, <lesser at helix.nih.gov> wrote:

>  Also what surprises me is that when I run phenix.xtriage or phenix and
> then
> "reflection tools" xtriage, I get different results.
>

Yeah, this is a bug - getting Xtriage output to display nicely in the GUI
was non-trivial, and in a few cases I misinterpreted which data arrays were
relevant.  It'll be fixed in the next nightly build.


>  as a big fan of phenix, I still wonder if there is a way to improve the
> output of xtriage. Even after looking at it for a number of years now, I
> manage to confuse myself. I for one would prefer clear statements over
> probability scores. I never know whether a high number is good or bad (or
> what the scale is!) because sometimes a score reflects the probability
> whether something is true or whether an assumption is wrong. Would it not
> be
> possible to print likelihood of a space group scaled to 100%?


We agree that it needs to be made much more intuitive - I have tried to
clarify some issues in the GUI but I'm limited to those parts I actually
understand.  Peter and I probably need to spend a couple of weeks revising
and cleaning up the output, but as usual this has to compete with about a
dozen other projects...

-Nat
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