PURPOSE:
The script below can be used when building Structure Based Pharmacophores to create excluded spheres from the protein binding site and any molecule in the neighbourhood of this binding site.
The user needs to select a binding site so that carbon atoms in the surroundings will be used to define the excluded sphere (2.6 A).

DISCLAIMER:
This custom script is compatible with Discovery Studio 2.5. It is provided "as is" and is NOT supported by Accelrys nor is it warranted for any purpose whatsoever. The user assumes responsibility for any malfunctions or bugs.

REQUIREMENTS:
A molecule window containing at least a protein and a binding site.

EXPECTED RESULTS:
A Catalyst Query containing excluded spheres that map the protein carbon atoms in the binding site and any molecule present in the binding site.