[buster-discuss] buster maps in pymol

Clemens Vonrhein vonrhein at globalphasing.com
Tue Sep 27 21:16:36 CEST 2011


On Tue, Sep 27, 2011 at 12:04:31PM -0400, Elias Fernandez wrote:
> Hello, I should have elaborated. I'm trying to display buster Fo-Fc and
> 2Fo-Fc maps from Buster in Pymol. However, when I use the Buster
> instructions, the map seem sot be in a different frame of reference than the
> coordinates. Any ideas? Thanks! Elias

BUSTER 2Fo-Fc maps (2FOFCWT/PH2FOFCWT columns) and Fo-Fc maps
(FOFCWT/PHFOFCWT) are not different from any other
amplitude/phase-based map in MTZ format. If you can open other maps
from program XYZ, then using the 'refine.mtz' from BUSTER will be
identical - apart from column names maybe.

So your problem with a difference/shift between coordinates and the
maps is unlikely to be related or specific to BUSTER: maybe the pymol
mailing list can help?

As an example of using BUSTER maps (albeit in Coot):

  % coot --pdb refine.pdb --auto refine.mtz

and everything will work as expected.



* Clemens Vonrhein, Ph.D.     vonrhein AT GlobalPhasing DOT com
*  Global Phasing Ltd.
*  Sheraton House, Castle Park 
*  Cambridge CB3 0AX, UK
* BUSTER Development Group      (http://www.globalphasing.com)

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