NMR software | 名称 | 開発者 | 分類 |
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NMRDraw | Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax解析 | NMRPipe | Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Baxデータ解析 | NMRPipe | Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax解析 | NMRView | Johnson, One Moon Scientificデータ解析 | CYANA | Guntert, Mumenthaler and Wuthrichchemical shift calculation CYANA | Guntert, Mumenthaler and Wuthrich精密化 | VnmrJ | VariancollectionVnmrJ | Varian解析 | smartnotebook | (Smart Notebook) Slupsky et al., 2003.解析 | CNS | Brunger, Adams, Clore, Gros, Nilges and Read精密化 | | | | | | | | | | | | |
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精密化 | 手法: DGSA-distance geometry simulated annealing, torsion angle dynamics, 精密化 ソフトェア番号: 1 |
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NMR constraints | NOE constraints total: 1257 / NOE intraresidue total count: 399 / NOE long range total count: 207 / NOE medium range total count: 235 / NOE sequential total count: 416 |
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代表構造 | 選択基準: minimized average structure |
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NMRアンサンブル | コンフォーマー選択の基準: target function / 計算したコンフォーマーの数: 100 / 登録したコンフォーマーの数: 20 / Maximum lower distance constraint violation: 0 Å / Maximum upper distance constraint violation: 0 Å / 代表コンフォーマー: 1 |
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NMR ensemble rms | Distance rms dev: 0.58 Å / Distance rms dev error: 0.13 Å |
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