If you are down to a scale where you consider a single water molecule
I would say that the volume is not a very useful parameter. I woudl
rather ask if it makes chemical sense to place a water molecule, and
if the structure is determined at a sufficient level of precision that
you can identify a very small cavity with confidence.
Poul
On 10/05/2010, at 15.46, amit sharma wrote:
> Dear All,
>
> I want to measure the volume of a cavity in my structure and look to
> see if it can accommodate a water molecule. Could someone please
> suggest me program(s) that would do this?
>
> Many thanks,
> --
> Amit Sharma,
> Postdoctoral Fellow,
> Department of Biophysics,
> Johns Hopkins University,
> Baltimore,
> MD21218
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