Hi all, Thanks to Michael and Jason for their suggestions. I apologise for starting a new thread; I had inadvertently deleted the email conversation.
I looked into hollow, but since the binding pocket is large and very irregularly shaped, it seemed as though it would be tricky to include the whole binding pocket without also including areas I didn't want, such as nearby cavities and pockets. Also, the surface carving was slow because my system is very large (the protein is roughly 35,000 atoms). So in the end I devised some aliases and constructed the binding pocket's surface piecemeal. Painstaking, but it got the job done :-) Thanks again, Ben -- For greater security, I support S/MIME encryption.
smime.p7s
Description: S/MIME cryptographic signature
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