%endfig 0.48
%bigcap
\label{iptsshape} (Left) The Rho-Kinase inhibitor (sticks) and receptor (surface) from PDB 2H9V shown with the identified interaction points (spheres).  (Right) Shape constraints derived from this structure.  The interaction points become a minimum shape constraint (yellow) by applying a radius of 1{\AA}.  Here the receptor volume has been shrunk by 1{\AA} (two layers of surface voxels were removed) to form a maximum shape constraint (inverse shown in cyan).
Voxlized image generated with Sproxel \cite{sproxel}.