Here is everything you need to know to get AutoDock Tools working on your system and how to navigate its core workflow. 1. How to Download AutoDock Tools (MGLTools)
On Windows 10/11, you may need to run ADT in "Compatibility Mode" or update your graphics drivers if the molecule doesn't render correctly.
Set the number of runs (usually 10 to 50 for initial testing). Export the Docking Parameter File (.dpf) . 4. Troubleshooting Common Issues
Use the Kollman Charges tool within ADT to assign partial charges to the protein.
Once you launch ADT, you will see a workspace designed for molecular visualization and preparation. To make it for a docking study, you must follow these four primary phases: Phase A: Preparing the Macromolecule (Protein)
Once the download is complete, follow the installation prompts.