Replying to myself... yes, the sa-surface is the same as the vdW surface, only when obtained as Bob proposed; the key is the "0" in the command, meaning to use probe radius=0, hence get the surface is at vdW limit, rather than a larger, more external surface for a normal solvent-accesible surface.
Another isuue, David: when comparing volumes from different sources, make sure that the vdW radii used by the programs are the same. Jmol uses somewhat large radii (supposedly coming from the idea of compensating for the lack of Hydrogens present in pdb files, I think) ------------------------------------------------------------------------------ Let Crystal Reports handle the reporting - Free Crystal Reports 2008 30-Day trial. Simplify your report design, integration and deployment - and focus on what you do best, core application coding. Discover what's new with Crystal Reports now. http://p.sf.net/sfu/bobj-july _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
