| 查看: 850 | 回复: 0 | |||
| 当前主题已经存档。 | |||
[交流]
【求助】pdb文件处理
|
|||
|
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！ |
回复此楼» 猜你喜欢
到新单位后，换了新的研究方向，没有团队，持续积累2区以上论文，能申请到面上吗
已经有6人回复
-
2025冷门绝学什么时候出结果
已经有7人回复
-
请问有评职称，把科研教学业绩算分排序的高校吗
已经有6人回复
-
Bioresource Technology期刊，第一次返修的时候被退回好几次了
已经有7人回复
-
真诚求助：手里的省社科项目结项要求主持人一篇中文核心，有什么渠道能发核心吗
已经有8人回复
-
寻求一种能扛住强氧化性腐蚀性的容器密封件
已经有5人回复
-
请问哪里可以有青B申请的本子可以借鉴一下。
已经有4人回复
-
请问下大家为什么这个铃木偶联几乎不反应呢
已经有5人回复
-
天津工业大学郑柳春团队欢迎化学化工、高分子化学或有机合成方向的博士生和硕士生加入
已经有4人回复
-
康复大学泰山学者周祺惠团队招收博士研究生
已经有6人回复
