autodock tool文件_AutoDock软件的下载、安装及使用 - 量子化学 - 小木虫 - 学术 科研 互动社区...

破赵诖耍�

因为我真的不知道这个软件是做什么的。

autodock (分子对接软件)

【URL】 http://www.scripps.edu/pub/olson-web/doc/autodock/

【作者】 The Scripps Research Institute

【操作系统】 Unix,Linux and Mac OS X.

【收费情况】  免费

【用途】 AutoDock is a suite of automated docking tools. It is designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure.

AutoDock actually consists of three separate programs: AutoDock performs the docking of the ligand to a set of grids describing the target protein; AutoGrid pre-calculates these grids; and AutoTors sets up which bonds will treated as rotatable in the ligand.

In addition to docking, the atomic affinity grids can be visualised. This can help , for example, to guide organic synthetic chemists design better binders.

【使用说明链接】 http://www.scripps.edu/pub/olson ... on.html#USER_GUIDES

【备注】

AutoDock 3.0: about 11 Mbytes.

AutoDock continues to be free to academics and educational institutions for non-commercial use. The C and C++ source code of all the programs is provided, along with Unix makefiles to help compile the executables. You and an institutional representative, such as your Head of Department, are required to sign and return a Software Distribution Agreement. Then you will be sent instructions by email on how to ftp the software from The Scripps Research Institute.

【相关链接】

The Scripps Research Institute (TSRI, 美国斯克利普斯研究院)

分子对接网站(Garrett M. Morris的个人主页)，