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On 21/09/2012 17:13, Sergio Manzetti
sergio.manzetti^^gmx.com wrote:
Dear CCLrs, it is evident that molecular symmetry is not straight forward for complex molecules. Are there any computational methods to determine the symmetry of an input structure, and its subgroups? Chemcraft can do it in a very illustrative way. The "Computational methods" are present in physical and inorganic chemistry textbooks in dichotomous trees. If you have lego to model your molecule it helps. What's harder is to symmetrize molecules which the aforesaid program can do as well as others like ADFview or Gaussview. -- Nuno A. G. Bandeira, AMRSC C8 - Centro de QuÃmica e BioquÃmica FCUL, Campo Grande Lisbon 1749-016 PORTUGAL http://www.researcherid.com/rid/B-6399-2012 http://pt.linkedin.com/pub/nuno-a-g-bandeira/47/55a/2aa -- |