Global InformationKabsch algorithm information
The Kabsch algorithm, also known as the Kabsch-Umeyama algorithm,[1] named after Wolfgang Kabsch and Shinji Umeyama, is a method for calculating the optimal rotation matrix that minimizes the RMSD (root mean squared deviation) between two paired sets of points. It is useful for point-set registration in computer graphics, and in cheminformatics and bioinformatics to compare molecular and protein structures (in particular, see root-mean-square deviation (bioinformatics)).
The algorithm only computes the rotation matrix, but it also requires the computation of a translation vector. When both the translation and rotation are actually performed, the algorithm is sometimes called partial Procrustes superimposition (see also orthogonal Procrustes problem).
- ^ Lawrence, Jim; Bernal, Javier; Witzgall, Christoph (2019-10-09). "A Purely Algebraic Justification of the Kabsch-Umeyama Algorithm" (PDF). Journal of Research of the National Institute of Standards and Technology. 124: 124028. doi:10.6028/jres.124.028. ISSN 2165-7254. PMC 7340555. PMID 34877177.