Class ReferenceSuperimposer
- java.lang.Object
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- org.biojava.nbio.structure.align.multiple.util.ReferenceSuperimposer
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- All Implemented Interfaces:
MultipleSuperimposer
public class ReferenceSuperimposer extends Object implements MultipleSuperimposer
Superimposes each structure in aMultipleAlignment
onto a reference structure.Performs a global superposition of the MultipleAlignment in case there is only one
BlockSet
, and a superposition for every BlockSet in case there is more than one (flexible alignment).This class uses the
SuperPositionSVD
algorithm.- Since:
- 4.1.0
- Author:
- Spencer Bliven, Aleix Lafita
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Constructor Summary
Constructors Constructor Description ReferenceSuperimposer()
Default Constructor.ReferenceSuperimposer(int reference)
Constructor using a specified structure as reference.
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description void
superimpose(MultipleAlignment alignment)
Superimpose all structures from aMultipleAlignment
.
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Constructor Detail
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ReferenceSuperimposer
public ReferenceSuperimposer()
Default Constructor. Uses the first structure as the reference.
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ReferenceSuperimposer
public ReferenceSuperimposer(int reference)
Constructor using a specified structure as reference.- Parameters:
reference
- Index of the structure to use as a reference (it has to be > 0)
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Method Detail
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superimpose
public void superimpose(MultipleAlignment alignment) throws StructureException
Description copied from interface:MultipleSuperimposer
Superimpose all structures from aMultipleAlignment
. The superposition is done for all individual BlockSets. If there is only one BlockSet.At a minimum, this should set the transformation matrices for the individual
BlockSet
s.This method only calculates and sets the transformation 4D Matrices. If any score is needed it should be calculated and set separately afterwards with
MultipleAlignmentScorer
.- Specified by:
superimpose
in interfaceMultipleSuperimposer
- Parameters:
alignment
- MultipleAlignment specifying the aligned residues (via theblocksets
) and the atoms to align (via theensemble
).- Throws:
StructureException
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