NMR software | 名称 | 開発者 | 分類 |
---|
CNS | Brunger A. T. et.al.構造決定 | TopSpin | Bruker Biospinデータ収集 | NMRPipe | Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Baxdata processingNMRDraw | Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Baxdata processing displaySparky | Goddardデータ解析 | CSI | Wishart, D.S. and B.D. Sykes.secondary structure predictionTALOS | Cornilescu, Delaglio and Baxdihedral angle restraints determinationProcheck | Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Thoprotein structure quality checkNOEID | Lisa Parsonsgenerate noe peak listsCNS | Brunger A. T. et.al.精密化 | | | | | | | | | | | | | | | | |
|
---|
精密化 | 手法: simulated annealing / ソフトェア番号: 1 |
---|
NMR constraints | NOE constraints total: 1193 / NOE intraresidue total count: 627 / NOE long range total count: 169 / NOE medium range total count: 57 / NOE sequential total count: 214 |
---|
代表構造 | 選択基準: lowest energy |
---|
NMRアンサンブル | コンフォーマー選択の基準: structures with acceptable covalent geometry 計算したコンフォーマーの数: 200 / 登録したコンフォーマーの数: 20 |
---|