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
