Re: [PyMOL] Pymol sas

2013-11-21 Thread Jason Vertrees
Neshat, Warren wrote the surfacing algorithm years ago. A little more discussion on the algorithm can be found here ( http://www.mail-archive.com/pymol-users@lists.sourceforge.net/msg07124.html) and here (http://www.pymolwiki.org/index.php/Get_Area). Cheers, -- Jason On Tue, Nov 12, 2013 at

[PyMOL] Pymol sas

2013-11-12 Thread neshat haq
Hi, I could not find the the algorithm by which pymol calculates the solvent ASA. What I understood is that pymol adds the vdw radii of atom and probe, makes the sphere around the center of selected atoms, puts some dots and according to the density of dots it calculates the SASA. or it simply