CCL: Geometry symmetrizer code or algorithm?

 Sent to CCL by: Andrey.Bliznyuk^^anu.edu.au
 Hi,
 Many years ago I looked at the problem in conjuction with Turbomole input
 generation,
 and it resulted in a program that's still available at http://sf.anu.edu.au/~aab900/
 (click on "Symmetrization of Input Coordinates and Determination of
 Independent Variables")
 Another attemt I know about can be found at: http://www.cobalt.chem.ucalgary.ca/ps/
 The idea behind the algorithm is simple: first you use some tolerance factor to
 determing
 what the symmetry is, then the generators of the point group found are used to
 generate
 an "improved" set of coordinates. Naturally, it only works for
 geometry that its not
 too far from symmetrical.
 Hope it helps.
 Dr Andrey Bliznyuk
 ANU Supercomputer Facility
 Leonard Huxley Bld.(#56)
 Canberra, ACT 0200
 Australia