An easily fixed error in the Nyburg algorithm for discovering the best fit between molecules
Tài liệu tham khảo
Bajaj, 1984, Evolution and the tertiary structure of proteins, Annu. Rev. Biophys. Bioeng., 13, 453, 10.1146/annurev.bb.13.060184.002321
Nyburg, 1974, Some uses of a best molecular fit routine, Acta. Crystallogr., B30, 251, 10.1107/S0567740874002603
Sippl, 1991, Superposition of Three-Dimensional Objects: A Fast and Numerically Stable Algorithm for the Calculation of the Matrix of Optimal Rotation, Comp. Chem., 15, 73, 10.1016/0097-8485(91)80026-I
Kabsch, 1978, A discussion of the solution for the best rotation to relate two sets of vectors, Acta Crystallogr., A34, 827, 10.1107/S0567739478001680
Obtained from the Computer Graphics Laboratory, OK2, Lunds University, Lund, Sweden, Dr. R.E. Carter and Dr. T. Liljefors