autodock
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.
Info
Module Name
autodock
Last Updated On
08/29/2023
Support Level
Secondary Support
Software Access Level
Open Access
Home Page
Documentation
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.
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.
Agate Modules
Default
4.2.6
Other Modules
4.2.6
Mangi Modules
Default
4.2.6
Other Modules
4.2.6
Mesabi Modules
Default
4.2.6
Other Modules
4.2.6