16-09-2021
Autodock Tools
by morris — last modified 2007-05-18 07:39
Jul 29, 2020 What are PMV, ADT and Vision? Citing PMV, ADT and Vision.; What's included with MGLtools? How to contact us?; MGLTools 1.5.7 RC 1 THE MGLTools SOFTWARE IS PROVIDED TO YOU 'AS IS,' AND WE MAKE NO EXPRESS OR IMPLIED WARRANTIES WHATSOEVER WITH RESPECT TO ITS FUNCTIONALITY, OPERABILITY, OR USE, INCLUDING, WITHOUT LIMITATION, ANY IMPLIED WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR.
- The AutoDock suite provides a comprehensive toolset for computational ligand docking and drug design and development. The suite builds on 30 years of methods development, including empirical free energy force fields, docking engines, methods for site prediction, and interactive tools for visualizati.
- Computational tools like AutoDock offer the advantage of delivering new drug candidates more quickly and at a lower cost (Gilbert, 2004; Warren et al., 2006). AutoDock is an excellent non-commercial docking program that is widely used.
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. WithAutodock
ADTAutodock Tools For Windows
, 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...
Autodock Tools Download Mac
- After you have clicked on this AutoDockTools link, you will be taken to our lab's 'MGLTools Web Portal' downloads page.
- 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.
- Follow the instruction provide on the website to install AutoDockTools.