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Resolving Crystal Structure of Macro Molecule with Wavelets in Simulated Annealing

On account of ¡§the X-ray Phase Problem¡¨, it¡¦s impossible to get the electronic density by inverse Fourier transformation(IFT). And the crystal structure of molecule can¡¦t be solved by IFT. There are many methods to overcome the problem, such as Direct Method, Heavy Atom, and Simulated Annealing. But for macro-molecules, we still face a great challenge due to tremendous computing load. We propose a method by using wavelets to resolve the electronic density. We hope the multiresolution nature of wavelets can reduce the computing load for simulated annealing method.
Date16 July 2002
CreatorsWu, Cheng-Hui
ContributorsHerng-Yih Ueng, Wang-Chuang Kuo, Yen-Nan Chiang
Source SetsNSYSU Electronic Thesis and Dissertation Archive
Detected LanguageEnglish
Rightswithheld, Copyright information available at source archive

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