3D symmetry search algorithm
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 wou开发者_如何学Cld be great. Thanks
This paper should get you started:
http://graphics.stanford.edu/~niloy/research/approx_symmetry/paper_docs/approx_symmetry_sig_06.pdf
See this website for Symmetry Detection and Structure Discovery research. The papers at the bottom include the one that @Xavier Ho mentions.
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