AutoDock

Software Summary

Mesabi

Default Module:

4.2.6

Other Modules Available:

4.2.6

Last Updated On:

Tuesday, August 29, 2023

Mesabi K40

Default Module:

Other Modules Available:

Last Updated On:

Mangi

Default Module:

4.2.6

Other Modules Available:

4.2.6

Last Updated On:

Tuesday, August 29, 2023

Mangi v100

Default Module:

Other Modules Available:

Last Updated On:

NICE

Default Module:

Other Versions Available:

Last Updated On:

Tuesday, August 29, 2023

Support Level:

Secondary Support

Software Access Level:

Open Access

Home Page:

Link

Software Categories:

Drug Discovery

Molecular Modeling and Simulation

Software Description

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.

Software Documentation

Software Documentation Tabs

General Linux

To run Autdock commands (i.e., the CLI) interactively in a Linux environment run the command(s):

module load autodock
autodock4 -p filename

or

autogrid4 -p filename

To run AutoDock Tools (GUI) interactively in a Linux environment run the command(s):

module load autodock/4.2
adt

The GUI for versions 4.2.6 and later have been migrated to a separate package, mgltools.