opencadd.structure.superposition.engines.theseus.TheseusAligner

class opencadd.structure.superposition.engines.theseus.TheseusAligner(sequence_alignment: str = 'MUSCLE', alignment_max_iterations: int = 32, statistics_only: bool = False)[source]

Superpose structures with different sequences but similar structures

Parameters

sequence_alignment (str, optional, default=MUSCLE) – What algorithm will be used to calculate the sequence alignment. Choose between: - “MUSCLE” - “CLUSTALO” (CLUSTAL OMEGA)
alignment_max_iterations (int) – number of refinement iterations for alignment program (this parameter is only used by MUSCLE, not CLUSTAL OMEGA)
statistics_only (bool) – if True, add -I flag to just compute the statistics (no superposition)