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Bob Diamond Clusterpose program

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Clusterpose seeks families of similar structures within an ensemble of structures by repeatedly looking for the currently existing pair of clusters which may be superimposed on each other with a residual smaller than that for any other cluster-pair. Initially, each structure is a 'cluster' of 1. The resulting tree of combinations reveals groupings of similar structures. Alternatively, structures may be presented to Clusterpose in a sequence determined by the user, eg in energy order, and Clusterpose may be set to add these structures into a single cluster, one at a time, in the order given. This will show at what point the higher energy structures lose comparability with the low energy ones.
Introduction by Wayne Boucher — last modified 2007-02-13 13:21
Short description of the program.
Readme by Wayne Boucher — last modified 2007-01-25 16:45
Detailed description of the program.
Download by Wayne Boucher — last modified 2007-01-25 17:02
Download the program.

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