We highlight the fact that the rotation matrix minimizing the root-mean-square deviation between two molecular conformations [W. Kabsch, Acta Cryst. A32, 922 (1976)] also satisfies the Eckart axis conditions [C. Eckart, Phys. Rev. 47, 552 (1935)].
|Journal||Journal of Chemical Physics|
|State||Published - Jun 8 2005|
ASJC Scopus subject areas
- Physics and Astronomy (all)
- Physical and Theoretical Chemistry