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

MDAnalysisAligner.matching_selection(ref_selection, mob_selection)[source]

Compute best matching atom sets

Parameters

selections (list of MDAnalysis.core.groups.AtomGroup)

Returns

dict – Two-element dictionary with the selection string to obtain the matching atoms on the original structures
alignment (biotite.Alignment) – The sequence alignment