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



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Konstantinos Beis wrote:
> 
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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
> 
Hello,

you could also use povscript+, which was recently advertised on this bb
: it's a modified version of molscript that is able to produce a povray
input file. When anisotropic B-factors are present in the PDB file, you
can display them as ellipsoids. It is also able to read electron density
maps.

See http://people.brandeis.edu/~fenn/povscript/ for more informations 


laurent-- 


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