Hi Tom, Thanks for your reply. On 11/03/15 23:18, Tom Goddard wrote:
I think buried solvent accessible area (SAS) is most often used when buried areas are reported.
OK, thanks. Any justification in the literature for that, just to be on the safe side?
Negative values of buried SAS are impossible, that would be a bug, probably a failure of the surface calculation,
OK.
and if you see a case of that could you send me a Chimera session that demostrates it?
I will do it tomorrow.
Unfortunately with erratic surface calculation (which does not always report when it goes awry) you cannot be certain the numbers are correct.
Understood. If so, is there any sanity check I can do to see if a calculation has more or less chances of being meaningful? thanks, Massimo -- Massimo Sandal, Ph.D. http://devicerandom.org