pele.angleaxis.MinPermDistAACluster

class pele.angleaxis.MinPermDistAACluster(topology, transform=None, measure=None, **kwargs)

minimize the distance between two structures

Methods

__call__(coords1, coords2)
align_structures(coords1, coords2)	Parameters:
check_match(x1, x2, rot, invert)	check a given rotation for a match
finalize_best_match(x1)