Module cluster
source code
Some definitions:
cluster: a list of conformations all within tolerance RMSD.
clustering: a list of clusters from clustering a set of conformations
at a given tolerance RMSD.
Clusterer: instances of this class perform the clustering operation,
maintain the distance_matrix, and keep the dictionary of
clusterings (keyed by tolerance).
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Cluster
A cluster is a list of conformations.
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Clustering
A clustering is list of clusters resulting from a clustering
operation.
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Clusterer
This class knows how to cluster a list of conformations the
Autodock way.
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