Kabsch Algorithm

The Kabsch algorithm, also called the Kabsch-Umeyama algorithm, is a method for finding the optimal rotation matrix that minimizes the root mean squared deviation between two paired sets of points. Wolfgang Kabsch published the original solution in 1976 in Acta Crystallographica, with a correction in 1978; Shinji Umeyama later extended the approach, giving the method its combined name. The algorithm solves the problem of aligning one set of three-dimensional points to another through rotation and translation so that the total distance between paired points is minimized. It is widely used in computer graphics for point-set registration and object alignment, and in structural biology, cheminformatics and bioinformatics for comparing protein and molecular structures, where it provides a standard way to quantify how closely two molecular conformations match. This description is adapted from Wikipedia contributors under CC BY-SA 4.0; changes were made. https://creativecommons.org/licenses/by-sa/4.0/