A molecule computationally docked. ChimeraX image by JYS.

Autodock

Tutorials

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

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