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This page provides the downloads for the stable AutoDock4 version (v4.2.6) but we encourage users to use the newer version AutoDock GPU, which includes many bug fixes and new features. OS Files
AutoDock is a suite of automated docking tools. It is designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure. Over the years, it has been modified and improved to add new functionalities, and multiple engines have been developed.
Downloads – AutoDock Vina. NOTE: The latest stable version of AutoDock Vina can be downloaded from the GitHub repository. Older versions are available here. See also: GUIs, web interfaces, etc. | History of changes. Questions, problems or suggestions? See this site.
Downloads Title Downloads content OS Files Installation instructions Docking_tool.v.1.0.tar.gz See instructions Linux Docking_tool.v.1.0.tar.gz (OS X 11) Docking_tool.v.1.0.tar.gz (OS X 12) See instructions MAC
Downloads. Documentation. AutoDock4 is a computational docking program based on an empirical free energy force field and rapid Lamarckian genetic algorithm search method.
AutoDock 4 and AutoGrid 4 are free software, distributed under the GNU General Public License. The C and C++ source code of all the programs is provided, along with ready-to-run executables for several popular computers.
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.
AutoDock is a suite of free open–source software for the computational docking and virtual screening of small molecules to macromolecular receptors. The suite currently includes several complementary tools: Computational Docking Software. AutoDock4. AutoDock Vina. AutoDockFR. AutoDockCrankPep. Interactive Graphical User Interfaces. AutoDockTools.
AutoDock 4.2.6 installation on Windows. From the release 4.2.5, AutoDock and AutoGrid run natively under Windows, hence there is no requirement for Cygwin anymore. To install AutoDock, download the Windows installer (download page) and run it.
Jul 28, 2014 · AutoDock calculations are performed in several steps: 1) preparation of coordinate files using AutoDockTools, 2) precalculation of atomic affinities using AutoGrid, 3) docking of ligands using AutoDock, and 4) analysis of results using AutoDockTools. Step 1—Coordinate File Preparation.
