pele.mindist.findrotation(coords1, coords2, align_com=True)[source]

Return the quaternion which aligns XB with XA

Return the matrix which aligns structure XB to be as similar as possible to structure XA. To be precise, rotate XB, so as to minimize the distance |XA - XB|.

Rotations will be done around the origin, not the center of mass

Rotational alignment follows the prescription of Kearsley, Acta Cryst. A, 45, 208-210, 1989

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