前天突然想找一个D-ALA的残基，想接一段含有D-ALA的肽段，太PDB库里有很多，但是最后还是leap帮我搞定啦。
leap是amber的分子建模软件，有tleap和xleap两个版本。 tleap是命令行界面；xleap是图形界面的。leap本身的命令很多，可以看看amber手册。dock软件现在也包含了leap了，不知道他们两家人怎么不打架。唉唉，看看国内的QQ告珊瑚虫，真的没法比。
好了，xleap很好用，要做一个D氨基酸很简单，把侧链移动一下就搞定。当然，用的是amber力场。只要你不要保存你修改过的残基，下次启动leap的时候，它会使用L残基。
嗯，好玩！
由 sen 发表于 January 31, 2008 03:52 PM从GOOGLE上搜到你的BLOG,找到了一些很有用的东西.
谢谢你拉!~~
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