Minnesota Supercomputing Institute
With regards to the safety measures put in place by the university to mitigate the risks of the COVID-19 virus, at this time all MSI systems will remain operational and can be accessed remotely as usual. The only planned outages concern our in-person Helpdesk and tutorials. More information, as well as alternative remote support options, can be found at MSI COVID-19 Continuity Plan
Wednesday, December 7, 2016
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.
To run Autdock commands (i.e., the CLI) interactively in a Linux environment run the command(s):
module load autodock
autodock4 -p filename
autogrid4 -p filename
To run AutoDock Tools (GUI) interactively in a Linux environment run the command(s):
module load autodock/4.2
The GUI for versions 4.2.6 and later have been migrated to a separate package, mgltools.