AutodockTools

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…

It runs on Linux, Mac OS X, SGI IRIX and Microsoft Windows.

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