software for surface curvature

From: Jun Liao <neuronyear2003@yahoo.com>
Date: 4 October 2011 23:25
To: CCP4BB@jiscmail.ac.uk

Dear All, These days, I want to calculate the surface curvature for my proteins in a quantitative way and show the results in a graphics software such as Pymol. Does someone have a good idea of which program will do a nice job? Thanks in advance, Best, Jun Liao Dept. of Physiology UTSW medical center at Dallas

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From: Francois Berenger

If you are a C++ expert and have some strong computational geometry knowledge:

http://www.cgal.org/Manual/latest/doc_html/cgal_manual/Jet_fitting_3/Chapter_main.html

Maybe by post-processing the output of MSMS (which gives surface normals) you can get something working, more easily.

Regards,
F.

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From: Ed Pozharski
Surface Racer

http://apps.phar.umich.edu/tsodikovlab/index_files/Page756.htm

will output curvature per atom.  The easiest way to get this info
rendered in pymol is to move the curvature values into the b-factor
column.