opencadd.structure.superposition.engines.theseus.TheseusAligner

class opencadd.structure.superposition.engines.theseus.TheseusAligner(alignment_max_iterations: int = 32, statistics_only: bool = False)

Superpose structures with different sequences but similar structures

Parameters

• alignment_max_iterations (int) – number of iterations for alignment program (muscle)

• statistics_only (bool) – if True, add -I flag to just compute the statistics (no superposition)