Uses of Class
ffx.potential.utils.Clustering.Conformation
Package
Description
The Utils package implements core functionality needed for using the Potential package, such as
opening and closing structure files, basic force field energy evaluations, etc.
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Uses of Clustering.Conformation in ffx.potential.utils
Modifier and TypeMethodDescriptionstatic List
<org.apache.commons.math3.ml.clustering.CentroidCluster<Clustering.Conformation>> Clustering.hierarchicalClustering
(List<double[]> distanceMatrix, double threshold) This method performs hierarchical clustering on a distance matrix.static List
<org.apache.commons.math3.ml.clustering.CentroidCluster<Clustering.Conformation>> Clustering.iterativeClustering
(List<double[]> distMatrix, int trials, double tolerance) Perform an iterative clustering for a specified number of clusters.static List
<org.apache.commons.math3.ml.clustering.CentroidCluster<Clustering.Conformation>> Clustering.kMeansClustering
(List<double[]> distMatrix, int maxClusters, int numTrials, long seed) Perform a k-means clustering for a specified number of clusters.Modifier and TypeMethodDescriptionstatic void
Clustering.analyzeClusters
(List<org.apache.commons.math3.ml.clustering.CentroidCluster<Clustering.Conformation>> clusters, List<Integer> repStructs, boolean verbose) Analyze a list of CentroidClusters.