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Hey Jeff,

Why not try the command line version of CAVER. It is easily adjustable and provides nice figures of solvent accessibility for Pymol. It also prints out a ton of stats in the log files if you want numbers.

-Yarrow


On Wed, Jun 25, 2014 at 1:10 PM, Jeff Holden <[log in to unmask]> wrote:
Experts,

I would like to compare the substrate binding site of two homologous
proteins. Based on crystal structures it is clear that the substrate
binding site of protein A is more solvent exposed then protein B.

Is there a way to measure the solvent exposure of the substrate in protein
A and B? Or perhaps you have an additional suggestion for making a
structural comparison (besides what seems obvious...noting the differences
in non-covalent interactions)?

Thanks,
Jeff