Class SubunitCluster

  • public class SubunitCluster
    extends Object
    A SubunitCluster contains a set of equivalent QuatSymmetrySubunits, the set of equivalent residues (EQR) between Subunit and a Subunit representative. It also stores the method used for clustering.

    This class allows the comparison and merging of SubunitClusters.

    Aleix Lafita
    • Constructor Detail

      • SubunitCluster

        public SubunitCluster​(Subunit subunit)
        A constructor from a single Subunit. To obtain a SubunitCluster with multiple Subunits, initialize different SubunitClusters and merge them.
        subunit - initial Subunit
      • SubunitCluster

        public SubunitCluster​(SubunitCluster other,
                              List<Integer> subunitsToRetain)
        A copy constructor with the possibility of removing subunits. No re-clustering is done.
        other - reference SubunitCluster
        subunitsToRetain - which subunits to copy to this cluster