| Autor: |
Charles M. Weeks, G. DeTitta, Chun-Shi Chang, M. Poulin, P. Thuman, Herbert A. Hauptman, Russ Miller |
| Rok vydání: |
2003 |
| Předmět: |
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| Zdroj: |
[Proceedings 1992] The Fourth Symposium on the Frontiers of Massively Parallel Computation. |
| DOI: |
10.1109/fmpc.1992.234868 |
| Popis: |
The authors have developed a formulation of the phase problem of X-ray crystallography in terms of a minimal function of phases and a new minimization algorithm called shake-and-bake for solving this minimal function. The implementation details of the shake-and-bake strategy on the Connection Machine CM-2 are presented. The shake-and-bake algorithm has been used to determine the atomic structure of four test structures, ranging from 28 to 317 atoms. These results indicate that shake-and-bake is effective on structures of this size. > |
| Databáze: |
OpenAIRE |
| Externí odkaz: |
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