How to install and use Autodock 4.0 in Linux

 

This document uses the installation of Autodock4.0 as an example:

(1) download the software packages ADT and Autodock4

ADT: http://mgltools.scripps.edu/downloads

I downloaded: MGLTools-1.5.0-Linux-x86-Install

Autodock 4: http://autodock.scripps.edu/downloads/autodock-registration

(2) install MGLTools first

Directly double-click the MGLTools-1.5.0-Linux-x86-Install file to start installation, installation will appear in the installation interface, step by step to do, very convenient, after installation will appear AutoDockTools interface. and there will be shortcuts on the desktop.

Then add your installation path:/home/username/MGLTools-1.5.0/share/bin to The. bashrc File

Export PATH = "/home/yangcao/MGLTools-1.5.0/bin:" $ PATH

In the execution of source. bsharc, it will be OK.

Open the terminal, enter adt, and press Enter. The AutoDockTools interface is displayed.

Note: After you turn off the interface that appears after the installation, double-click the shortcut icon on the left to check whether the graphic interface cannot be found, or enter the adt on the terminal, and there are a lot of errors, don't panic, you just need to execute the following statement on the terminal OK.

Chcon-t textrel_shlib_t/home/username/MGLTools-1.5.0/lib/python2.5/site-packages/PIL/_ imaging. so

(3) Autodock Installation

Decompress the downloaded file to obtain the i86Linux2 folder, which contains the autogrid4 and autodock4 files.

You only need to add them to/usr/bin.

Cp/home/download/i86Linux2/autogrid4/usr/bin/autogrid4

Cp/home/download/i86Linux2/autodock4/usr/bin/autodock4

In this way, you can run on the terminal. Of course, it can also be used without being added to/usr/bin, but every time the terminal is used up, it will enter the directory.