Autodock

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 [1].

Module

List the versions available as modules:

module spider autodock

Output:

--------------------------

  autodock: autodock/4.2.6

--------------------------

...

See how to load the version you need:

module spider autodock/<version>

Load any required modules that are reported by the spider command, and then load the autodock module:

module load autodock/<version>

Usage

Tutorials are available from the authors that demonstrate different use cases[2].

References