[phenixbb] phaser spacegroup within phenix

Nathaniel Echols nechols at lbl.gov
Tue Jun 15 10:41:05 PDT 2010

On Tue, Jun 15, 2010 at 8:45 AM, John M. Berrisford
<jmb at mrc-mbu.cam.ac.uk>wrote:

> I have an mtz processed in P21 and when I load it into the phenix phaser
> GUI it tells me its P21 (P 1 21 1) and gives me no other options. However,
> when I run the molecular replacement job it decides that the space group
> could be either P2 or P21 and runs both - which in my case runs in P2 and
> gives a partial solution, not the full solution I would expect in P21. A bit
> annoying as I know my space group is actually P21.
> After a few minutes of head scratching, the only way I found to fix it to
> run in P21 is to enter the "other settings" menu and select "none" within
> "alternative space groups". I guess this is what your suppose to do, but its
> not obvious.

Point taken - I'll move this to the main window (and label it more clearly -
sorry).  The result you're describing sounds like it might be a bug, though;
shouldn't Phaser try P21 as well and get the full solution, instead of
settling for P2?  This is what I would expect for the default behavior.

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