[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]
Re: [ccp4bb]: SUMMARY: Anisotropic B-factors
*** For details on how to be removed from this list visit the ***
*** CCP4 home page http://www.ccp4.ac.uk ***
Konstantinos Beis wrote:
>
> *** For details on how to be removed from this list visit the ***
> *** CCP4 home page http://www.ccp4.ac.uk ***
>
> 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--
-------------------------------------------------------------------
Laurent Maveyraud
Groupe de Biophysique Structurale - IPBS-CNRS
205, route de Narbonne Tel (+33) 05 61 17 54 35
31077 TOULOUSE CEDEX Fax (+33) 05 61 17 54 48
France mailto:laurent.maveyraud@ipbs.fr
-------------------------------------------------------------------