Class QuatSymmetrySubunits
java.lang.Object
org.biojava.nbio.structure.symmetry.core.QuatSymmetrySubunits
A bean to represent information about the set of
Subunit
s being
considered for symmetry detection. This class is a helper for the
QuatSymmetryDetector
algorithm, since it calculates and caches the
MomentsOfInertia
and the centroids of each Subunit.- Author:
- Peter Rose, Aleix Lafita
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Constructor Summary
ConstructorsConstructorDescriptionQuatSymmetrySubunits
(List<SubunitCluster> clusters) Converts the List ofSubunitCluster
to a Subunit object. -
Method Summary
Modifier and TypeMethodDescriptionint
List
<javax.vecmath.Point3d> javax.vecmath.Point3d
This method is provisional and should only be used for coloring Subunits.getFolds()
int
javax.vecmath.Point3d
This method is provisional and should only be used for coloring Subunits.List
<javax.vecmath.Point3d> int
List
<javax.vecmath.Point3d[]> List
<javax.vecmath.Vector3d> javax.vecmath.Point3d
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Constructor Details
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QuatSymmetrySubunits
Converts the List ofSubunitCluster
to a Subunit object.- Parameters:
clusters
- List of SubunitCluster
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Method Details
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getTraces
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getClusterIds
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getChainIds
This method is provisional and should only be used for coloring Subunits. A new coloring schema has to be implemented to allow the coloring of Subunits, without implying one Subunit = one Chain.- Returns:
- A List of the Chain Ids of each Subunit
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getModelNumbers
This method is provisional and should only be used for coloring Subunits. A new coloring schema has to be implemented to allow the coloring of Subunits, without implying one Subunit = one Chain.- Returns:
- A List of the Model number of each Subunit
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getSubunitCount
public int getSubunitCount() -
getFolds
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getCalphaCount
public int getCalphaCount() -
getLargestSubunit
public int getLargestSubunit() -
getCenters
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getUnitVectors
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getOriginalCenters
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getCentroid
public javax.vecmath.Point3d getCentroid() -
getMomentsOfInertia
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getLowerBound
public javax.vecmath.Point3d getLowerBound() -
getUpperBound
public javax.vecmath.Point3d getUpperBound()
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