Get coordinates of beads covering the surface of a protein

Posted by Hefeweizen on Stack Overflow See other posts from Stack Overflow or by Hefeweizen
Published on 2009-12-22T13:15:26Z Indexed on 2010/04/06 15:03 UTC
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chemistry

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molecular

Given a protein structure from the PDB, I would like to generate NS spheres of radius Rs which cover totally the protein surface. Given RS there, NS is the maximum number of spheres so they do not overlap. I would need the coordinates of the center of each sphere.

Does anybody know if this has been implemented in some method / program? Or how to do it with scripting.

Thanks

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