From: Thomas H. <sp...@us...> - 2010-11-25 18:24:15
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Hi all, I like to announce two scripts that I put on pymolwiki today. http://www.pymolwiki.org/index.php/AAindex http://www.pymolwiki.org/index.php/Sidechaincenters AAindex is useful to load numerical amino acid properties from the amino acid index database at http://www.genome.jp/aaindex/ into b-factors for coloring, selecting etc. The script also provides a Potential of Mean Force calculation (little tested) with contact potentials from aaindex3. Sidechaincenters creates single pseudoatoms for each residue sidechain. This can be used for the PMF calculation. Cheers, Thomas |