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r1.1 - 12 Mar 2005 - 22:55 - Main.guest
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*Use Molecular Mechanics Method to evaluate all the conformations generated in every 5 degree and find energy favorable ones and cluster the conformations according to the energy values.* Steps for conformational analysis: - search every 30 degree; - search every 5 degree and do "bump check"; - use molecular mechanics method to check the potential energy. - clustering -- Holtje, et al. Molecular Modeling. 2nd. Wiley-Vch. 2003. -- Main.XueyiWang - 12 Mar 2005
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