【分子對(duì)接】Autodockvina的安裝 installation on windows

菜鳥博士Caesar

分享是快樂的

官網(wǎng)下載MGL tools，處理蛋白和小分子的一個(gè)免費(fèi)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.

下載win版本，不過只有32位的

安裝

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.

安裝時(shí)，安裝文件放在英文路徑，否則會(huì)報(bào)錯(cuò)

安裝的過程中下載vina

http://vina.scripps.edu/

也是只有32位的

vina直接安裝就可以了

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.

建議修改為D盤，C盤可能會(huì)有權(quán)限問題，將C修改為D即可

MGL tools會(huì)同時(shí)安裝PMV 和CADD

可以只保留Autodock tool

下面軟件都準(zhǔn)備好了