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computer programs
A full-symmetry Patterson search method is presented that performs a molecular coarse rotation search in vector space and orientation refinement using the σ function. The oriented molecule is positioned using the fast translation function τ0, which is based on the automated interpretation of τ projections using the sum function. This strategy reduces the number of Patterson-function values to be stored in the rotation search, and the use of the τ0 function minimizes the required time for the development of all probable rotation search solutions. The application of this method to five representative test examples is shown.