AutoDockTools: the Graphical User Interface for AutoDock
AutoDockTools, or ADT, is the GUI to set up, launch and analyze AutoDock runs. 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…