Resolving Crystal Structure of Macro Molecule with Wavelets in Simulated Annealing
碩士 === 國立中山大學 === 物理學系研究所 === 90 === 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, He...
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| Format: | Others |
| Language: | zh-TW |
| Published: |
2002
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| Online Access: | http://ndltd.ncl.edu.tw/handle/42155152785421261769 |
| Summary: | 碩士 === 國立中山大學 === 物理學系研究所 === 90 ===
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.
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