[phenixbb] Converting .mtz to xplor or having phenix output to xplor file

[Sam Stampfer]

Thanks- got it working!  I used #2 (redid the refinement).
-Sam

On Tue, Oct 27, 2009 at 5:54 PM, Nathaniel Echols <NEchols at lbl.gov> wrote:

> On Oct 27, 2009, at 2:28 PM, Sam Stampfer wrote:
> > This isn't exactly phenix-related but someone might know an easy
> > solution.  I'm trying to open an electron density map in pymol.  It
> > won't open .mtz files and the .xplor files I generated from ccp4i
> > don't seem to work either.  I need to have my density as a .xplor
> > file in order for pymol to open it (I think).  How would I generate
> > a .xplor file from .mtz?  Or, alternately, how can I set phenix to
> > output a .xplor file?  I've had it output to a cns file instead
> > of .mtz but that didn't help me get it in .xplor format.
>
>
> Several solutions:
>
> 1) phenix.create_maps
>
> 2) output.write_maps=True in phenix.refine will generate XPLOR maps.
>
> 3) In the GUI, it should create the XPLOR maps on the fly if you click
> one of the "Open in PyMOL" buttons.
>
> Since most of the necessary code is already floating around, I don't
> mind creating a utility for simply converting map coefficients, if
> people would find this useful, but unfortunately we don't have the
> ability to write CCP4-format maps yet.
>
> One thing to make sure of is that PyMOL is recognizing the input
> format correctly - sometimes you need to explicitly state this:
>
> PyMOL> load 2fofc.xplor, format=xplor
>
> -------------------
> Nathaniel Echols
> Lawrence Berkeley Lab
> 510-486-5136
> NEchols at lbl.gov
>
>
>
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