AlignmentService (strucmotif-search-core 0.12.3 API)

All Known Implementing Classes:: QuaternionAlignmentService

public interface AlignmentService

Superimpose sets of residues.

Method Summary

Modifier and Type

Method

Description

AlignmentResult

align(List<Map<LabelAtomId,float[]>> reference, List<Map<LabelAtomId,float[]>> candidate, AtomPairingScheme atomPairingScheme)

Aligns 2 sets of residues to one another.

Method Details
- align
  
  AlignmentResult align(List<Map<LabelAtomId,float[]>> reference, List<Map<LabelAtomId,float[]>> candidate, AtomPairingScheme atomPairingScheme)
  
  Aligns 2 sets of residues to one another.
  
  Parameters:
  
  reference - the reference set of residues
  
  candidate - the candidate set of residues to evaluate
  
  atomPairingScheme - the atom names to consider for each residue during alignment
  
  Returns:
  
  an Alignment instance which provides the aligned instances, transformation operations and scores