Personal tools
You are here: Home Resources AutoDockTools
Document Actions

ADT / AutoDockTools

by morris last modified 2007-05-18 07:39

AutoDockTools, or ADT, is the free GUI for AutoDock developed by the same laboratory that develops AutoDock. You can use it to set up, run and analyze AutoDock dockings and isocontour AutoGrid affinity maps, as well as compute molecular surfaces, display secondary structure ribbons, compute hydrogen-bonds, and do many more useful things.

AutoDockTools, or ADT, is the ultimate GUI to set up, launch and analyze AutoDockruns. With ADT, you can:
  • View molecules in 3D, rotate & scale in real time.
  • Add all hydrogens or just non-polar hydrogens.
  • Assign partial atomic charges to the ligand and the macromolecule (Gasteiger or Kollman United Atom charges).
  • Merge non-polar hydrogens and their charges with their parent carbon atom.
  • Set up rotatable bonds in the ligand using a graphical version of AutoTors.
  • Set up the AutoGrid Parameter File (GPF) using a visual representation of the grid box, and slider-based widgets.
  • Set up the AutoDock Parameter File (DPF) using forms.
  • Launch AutoGrid and AutoDock.
  • Read in the results of an AutoDock job and graphically display them.
  • View isocontoured AutoGrid affinity maps.
  • And much, much more...
How to Download AutoDockTools:
  1. After you have clicked on this AutoDockTools link, you will be taken to our lab's "MGLTools Web Portal" downloads page.
  2. Download the latest version of MGLTools: If you are running on Linux, Mac OS X, SGI, or Windows, we recommend you download the Binary distribution.
  3. Follow the instruction provide on the website to install AutoDockTools.
For questions about AutoDock, join and send emails to the mailing list, ADL / AutoDock List.

Powered by Plone CMS, the Open Source Content Management System

This site conforms to the following standards: