Interface MultipleSuperimposer
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- All Known Implementing Classes:
CoreSuperimposer
,ReferenceSuperimposer
public interface MultipleSuperimposer
Interface for Multiple Alignment superposition algorithms.There can be several implementations of a superimposer, because there is not a unique superposition of multiple structures given their residue equivalencies, and their running times are asymptotically different.
- Since:
- 4.1.0
- Author:
- Spencer Bliven, Aleix Lafita
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Method Summary
All Methods Instance Methods Abstract Methods Modifier and Type Method Description void
superimpose(MultipleAlignment alignment)
Superimpose all structures from aMultipleAlignment
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Method Detail
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superimpose
void superimpose(MultipleAlignment alignment) throws StructureException
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
.- Parameters:
alignment
- MultipleAlignment specifying the aligned residues (via theblocksets
) and the atoms to align (via theensemble
).- Throws:
StructureException
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