ahem (he clears his throat...) http://www.netsci.org/Science/Compchem/feature14e.html
Yes, well, now that I'm more informed as to what a "solvent-accessible surface" really is, I see that what I have been calling such is really the "molecular surface", and that the "solvent-accessible surface" is really a FAR easier thing to depict and work with. I'm wondering: 1) Should I change the rhetoric in documentation and web pages to refer to this thing we have worked so hard to calculate as the "molecular surface"? 2) Should we also depict the true solvent-accessible surface? 3) What format for output would be desireable if we wanted to, say, show calculation solventAccessibleSurface (without necessarily doing any rendering of such). I see that this is a trivial calculation, and that we have everything we need already to do this for biomolecules. Bob _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
