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Original Articles

Superposition of Molecular Structures using Quaternions

Pages 113-119 | Received 01 Sep 1990, Accepted 01 Sep 1990, Published online: 23 Sep 2006

References

  • McLachlan , A. D. 1972 . A mathetical procedure for superimposing atomic coordinates of proteins . Acta Cryst. , A28 : 656 – 7 .
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  • Altmann , S. L. 1986 . Rotations, Quaternions, and Double Groups , Oxford : Clarendon Press .
  • Lynden-Bell , R. M. and Stone , A. J. 1989 . Reorientational correlation functions, quaternions and Wigner rotation matrices . Molecular Simulation , 3 : 271 – 81 .
  • Kneller , G. R. and Geiger , A. 1989 . A method to calculate the g-coefficients of the molecular pair correlation function from molecular dynamics simulations . Molecular Simulation , 3 : 283 – 300 .
  • Artmann , B. 1988 . The Concept of Number: From Quaternions to Monads and Topological Fields , Edited by: Griffiths , H. B. Chichester , , England : Ellis Horwood Limited . edited and translated from German
  • Press , W. H. , Flannery , B. P. , Teukolski , S. A. and Vetterling , W. T. 1986 . Numerical Recipes, The Art of Scientific Programming , Cambridge : Cambridge University Press .
  • IBM Engineering and Scientific Subroutine Library, Guide and Reference, Rel. 4 (SC23–0184–4)

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