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Re: [ccp4bb]: SUMMARY: Anisotropic B-factors



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Dear All,
Thank you very much for your suggestions on my question on how to plot 
anisotropic B-factors as thermal ellipsoids. The following programs were 
suggested to me:


ORTEP: http://www.ornl.gov/ortep/ortep.html

Mapview: http://www.chem.gla.ac.uk/~paule/chart/

xtalview: http://www.scripps.edu/pub/dem-web/toc.html

Rastep in RASTER3D : using the script:  grep NAD file.pdb | rastep -auto 
-Bcol 5. 35. > ellipsoids.r3d
                                                 render -jpeg < 
ellipsoids.r3d > ellipsoids.jpeg



Xfit: http://www.ansto.gov.au/natfac/asrp7_xfit.html



I tried all the above programs and in my point of view the Rastep and Ortep 
give nice graphic output for the B-factors.



Kostas



**********************************************
Konstantinos Beis
Centre for Biomolecular Sciences
University of St Andrews
North Haugh
St Andrews
FIFE KY16 9ST


tel: +44 1334 427265
email: kb11@st-andrews.ac.uk

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