From: Bob Hanson <hansonr@st...> - 2006-06-15 15:37:32
ahem (he clears his throat...)
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.
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
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.
Get latest updates about Open Source Projects, Conferences and News.