January 31, 2008

LEAP是一个好东西!!

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
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