An easily fixed error in the Nyburg algorithm for discovering the best fit between molecules

Journal of Molecular Graphics - Tập 10 - Trang 222-224 - 1992
Daniel P. Dolata1, James Arnold1
1Department of Chemistry, University of Arizona, Tucson, AZUSA

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