[phenixbb] phenix.maps

[Nathaniel Echols]

On Mon, Feb 14, 2011 at 3:31 PM, Jason <phenix.upitt at gmail.com> wrote:
> The error message in coot says: Failed to find any suitable F/phi columns in
> the MTZ file.

Okay, I just confirmed the problem.  Coot only recognizes a limited
set of MTZ labels as maps when using the "Auto Open MTZ" function, and
there are multiple different conventions for output labels (and MTZ
file structure) in Phenix, with the result that there are probably
hundreds of lines of code in the GUI to deal with displaying map
files.

There are two separate problems in your case.  The GUI defines the
default maps with PHI labels PHI2FOFCWT and PHIFOFCWT - Coot prefers
just "PH" instead of "PHI" here.  I'm fixing that now, but for now you
can edit the PHI labels to delete the "I".  The command-line version
has a different convention: for a 2mFo-DFc map, the labels will be
2mFoDFc/P2mFoDFc, and so on.  Coot doesn't recognize these either, so
you'll need to edit the parameter file here.  Alternately, in either
case you can still use the "Open MTZ..." menu item in Coot to define
the labels yourself.  Sorry for the confusion; I'll look into making
all of the programs behave the same.  (Fortunately, it looks like
phenix.refine's default map types use the appropriate labeling.)

-Nat