【分子对接】Autodockvina的安装 installation on windows

菜鸟博士Caesar

分享是快乐的

官网下载MGL tools，处理蛋白和小分子的一个免费工具

http://mgltools.scripps.edu/downloads

Downloading MGLTools

You can either download a zip file or an installer of MGLTools. Here, we will install using the Windows installer. Download it from here. It can run on both 32-bit and 64-bit supporting architecture.

下载win版本，不过只有32位的

安装

Installing MGLTools

Double click on the download file. It will ask to accept the agreement followed by the location to install MGLTools. Accept the agreement and select an appropriate drive and folder to install.

安装时，安装文件放在英文路径，否则会报错

安装的过程中下载vina

http://vina.scripps.edu/

也是只有32位的

vina直接安装就可以了

Installing Autodock Vina

Double click on the downloaded msi file. Select an appropriate location to install and wait to finish. This will create a new folder named ‘Vina-xxx‘. There you will find vina.exe that will be required at the time of its execution.

Now, you can see shortcuts would have been created on your desktop. Double click Autodock-Tools shortcut to start graphical user interface. There you can prepare your receptor and ligands for docking. For this, you can refer to blind docking and site-specific docking articles.

建议修改为D盘，C盘可能会有权限问题，将C修改为D即可

MGL tools会同时安装PMV 和CADD

可以只保留Autodock tool

下面软件都准备好了