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Thank you, Courtesy of Peter Zwart, William Scott, Phil Evans, and Gerard Kleywegt - I now have *four* different ways to do what I need! I can use Clipper, cctbx, Fortran+numerical recipes, or Clipper :-) This goes to show that crystallographers are: a) overall very nice and b) do not sleep or take days off at all Now I can go burn my Linux CPU. Artem