Next up is clustering...

I've got about 350 structures to cluster and I've worked through the
example code from the RDKit Cookbook (
http://www.rdkit.org/docs/Cookbook.html#clustering-molecules).  All seems
well and good there, but I would like to see the dendrogram.  I see that
there is a ClusterVis module to generate images, PDF, and SVG, but all
require a Cluster object as input.  I don't find anywhere a description of
acquiring or building that object based upon the results of clustering.

Any tips?

-Kirk
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