Tom, PyMOL provides a discrete brute-force approximation to the molecular surface as defined by the atomic van der Waals radii and the surface of all possible 1.4 A spherical waters in contact with the molecule.
Cheers, Warren > -----Original Message----- > From: pymol-users-boun...@lists.sourceforge.net > [mailto:pymol-users-boun...@lists.sourceforge.net] On Behalf > Of Tom Tullius > Sent: Monday, January 14, 2008 9:21 AM > To: pymol-users@lists.sourceforge.net > Subject: [PyMOL] algorithm for surface calculation? > > Hi all, > > Anyone know which algorithm PyMOL uses to calculate the "surface" > representation of a molecule? > > Thanks, > > Tom Tullius > > -------------------------------------------------------------- > ----------- > Check out the new SourceForge.net Marketplace. > It's the best place to buy or sell services for just about > anything Open Source. > http://ad.doubleclick.net/clk;164216239;13503038;w?http://sf.n et/marketplace > _______________________________________________ > PyMOL-users mailing list > PyMOL-users@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/pymol-users
