From: surya narayanan chandrasekaran (
Date: Tue Feb 11 2014 - 06:52:31 CST


I have a complex surrounded by water and protein. i wanna look at the the
atom interacting with my molecule. I would like to extract the information
of coordinates interacting on the surface of the atom of my molecule. Then
i would like to extract the coordinates for it. for further doing QM/MM
calculation. Any idea in this regard is welcome.

Suryanarayanan C
M.S Chemist