Rotational superposition: A review of methods

  • 1 June 1999
    • journal article
    • review article
    • Vol. 17  (3-4) , 238-244
Abstract
Rotational superposition is one of the most commonly used algorithms in molecular modelling. Many different methods of solving superposition have been suggested. Of these, methods based on the quaternion parameterization of rotation are fast, accurate, and robust. Quaternion parameterization-based methods cannot result in rotation inversion and do not have special cases such as co-linearity or coplanarity of points. Thus, quaternion parameterization-based methods are the best choice for rotational superposition applications.