[Chimera-users] Interaction interface between two residues and measure buriedArea

ms devicerandom at gmail.com
Wed Mar 11 15:48:21 PDT 2015


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


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