3D symmetry search algorithm

Question

This may be more appropriate for math overflow, but nevertheless:

Given a 3D structure (for example, a molecule), what is a good approach/algorithm to find symmetry (rotational/reflection/inversion/etc.)?

I came up with brute force naïve algorithm, but it seems there should be better approach. I am not so much interested in genetic algorithms as I would like best symmetry rather then almost the best symmetry

there is this here: http://pubs.acs.org/doi/abs/10.1021/ci990322q from my field. would be good to know what mathematicians/computer science people came up with as well.

A link to website/paper would be great. Thanks

Answer 1

This paper should get you started:

http://graphics.stanford.edu/~niloy/research/approx_symmetry/paper_docs/approx_symmetry_sig_06.pdf

Answer 2

See this website for Symmetry Detection and Structure Discovery research. The papers at the bottom include the one that @Xavier Ho mentions.