opencadd.structure.superposition.engines.mda.MDAnalysisAligner.matching_selection

MDAnalysisAligner.matching_selection(reference, mobile)[source]

Compute best matching atom sets

Parameters

structures (list of opencadd.core.Structure)

Returns

  • dict – Two-element dictionary with the selection string to obtain the matching atoms on the original structures

  • alignment (biotite.Alignment) – The sequence alignment