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vlad
PostPosted: Sat Dec 11, 2010 3:58 pm 
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Joined: Sat Dec 11, 2010 3:49 pm
Posts: 1
Hello, all!
I'm a new user of MGL Tools. Sorry for my ignorance.

My question is
How can I get coordinates of atoms representing vertices of reduced surface?

That is, how can I get the structure shown on Figure 3 from Sanner's paper "Reduced surface - an Effeicient way to compute molecular surfaces", Biopolymers, vol 38.

My ultimate target is to get coordinates of atoms that are accessible by solvent of required radius.

Thank you!
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