Hi,
try to have a look at mdpocket from the fpocket suite. This should do what you want. Have a closer look to the documentation at fpocket.sourceforge.net
Regards.
Peter Schmidtke
-----------------
PhD Student
Department of Physical Chemistry
School of Pharmacy
University of Barcelona
Barcelona, Spain
On 23/08/2010, at 18:30, Ganesh Kamath wrote:
> Hi All,
>
> Is there a way to calculate the pore volume of a protein. I have a
> trajectory and wish to compute the volume of
> the active site as a function of time.
> Could anyone please suggest a way.
>
> thanks for all the help.
>
> regards,
> ganesh
>
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Received on Mon Aug 23 2010 - 10:30:07 PDT
