A molecule computationally docked. ChimeraX image by JYS.



This tutorial takes advantage of the Biochemitry cluster and to install and run both AutoDock and AutoDock Vina.

Since the cluster does not support graphical interface, all preparations and calculations are done in a text-driven manner.

TUTORIAL 1 Autodock Vina on Linux Cluster with HTCondor

(last updated: April 18, 2017 – recompiled April 2019)

  • Autodock Vina on Linux Cluster with HTCondor: (same content, different formats)
  • PDBQT exercise files: protein | ligand


External video tutorial(s)

AutoDock Vina Tutorial by Sari Sabban

The following 1h long tutorial provides a python script to prepare data without Autodock Tools and offers many useful tools.

The Python script used during the video can be downloaded from github: AutoDock.py

During the video ligands are pulled from the Zinc15 database: