TY - JOUR
T1 - Eckart axis conditions and the minimization of the root-mean-square deviation
T2 - Two closely related problems
AU - Kudin, Konstantin N.
AU - Dymarsky, Anatoly Y.
PY - 2005/6/8
Y1 - 2005/6/8
N2 - 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)].
AB - 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)].
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U2 - 10.1063/1.1929739
DO - 10.1063/1.1929739
M3 - Article
AN - SCOPUS:20544436144
SN - 0021-9606
VL - 122
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
IS - 22
M1 - 224105
ER -