Coordinate-based cluster analysis.
A new approach to cluster analysis of structures based on collective superpositions rather than pairwise superpositions is presented. The method is fast and rigorous and is illustrated by application to 21 structures derived from NMR experiments. Source code, suitable for most laboratory machines, is available from the author, and a CCP4 version is in preparation.
Diamond
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MRC Laboratory of Molecular Biology, Cambridge, England.