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【求助】pdb文件处理
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我读入一个PDB文件 提示下面： loading PDB file: ./1MHY.pdb (starting new molecule for chain B) (starting new molecule for chain D) (starting new molecule for chain G) Unknown residue: FE number: 1060 type: Terminal/beginning ..relaxing end constraints to try for a dbase match -no luck Unknown residue: FE number: 1061 type: Terminal/last ..relaxing end constraints to try for a dbase match -no luck Created a new atom named: HD1 within residue: .R Created a new atom named: HD1 within residue: .R Created a new atom named: HD1 within residue: .R Created a new atom named: HD1 within residue: .R Created a new atom named: HD1 within residue: .R Created a new atom named: HD1 within residue: .R Created a new atom named: HD1 within residue: .R Created a new atom named: HD1 within residue: .R Created a new atom named: HD1 within residue: .R Created a new atom named: HD1 within residue: .R Added missing heavy atom: .R Created a new atom named: HD1 within residue: .R Created a new atom named: HD1 within residue: .R Created a new atom named: HD1 within residue: .R Created a new atom named: HD1 within residue: .R Created a new atom named: HD1 within residue: .R Created a new atom named: HD1 within residue: .R Created a new atom named: HD1 within residue: .R Created a new atom named: HD1 within residue: .R Created a new atom named: HD1 within residue: .R Created a new atom named: HD1 within residue: .R Created a new atom named: HD1 within residue: .R Created a new atom named: HD1 within residue: .R Created a new atom named: HD1 within residue: .R Created a new atom named: HD1 within residue: .R Created a new atom named: HD1 within residue: .R Created a new atom named: HD1 within residue: .R Created a new atom named: HD1 within residue: .R Created a new atom named: HD1 within residue: .R Created a new atom named: HD1 within residue: .R Created a new atom named: HD1 within residue: .R Created a new atom named: HD1 within residue: .R Created a new atom named: HD1 within residue: .R Added missing heavy atom: .R Creating new UNIT for residue: FE sequence: 1071 Created a new atom named: FE within residue: .R Creating new UNIT for residue: FE sequence: 1072 Created a new atom named: FE within residue: .R total atoms in file: 12729 Leap added 6375 missing atoms according to residue templates: 2 Heavy 6373 H / lone pairs The file contained 34 atoms not in residue templates 怎么对这个pdb文件处理呢？ 有没有相关的网站帮忙 望高手指点哈！ |
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