A critical point for successful installation is this:
Or download the binary from GitHub and place it in /usr/local/bin .
Step 3: Making AutoDock Tools "Work" (Troubleshooting & Dependencies)
tar -xzvf MGLTools-1.5.7.tar.gz cd MGLTools-1.5.7 ./install.sh download autodock tools work
Complete the wizard. This will place shortcuts for AutoDockTools on your desktop. macOS Installation
: From the official website, download the MGLTools installer for macOS (e.g., for "Snow Leopard - Mac OS X 10.5 and 10.6 - Intel"). The latest version is 1.5.6 as of many tutorials.
: Once installed, you can launch ADT by running the adt.bat file located in your MGLTools installation directory. A critical point for successful installation is this:
autodocktools
However, for full control over docking parameters, nothing beats a correctly installed AutoDock Tools.
To successfully download and run AutoDock Tools (ADT) , which is part of the macOS Installation : From the official website, download
Add the execution path to your configuration file ( .bashrc or .zshrc ): export PATH=$PATH:/path/to/autodock/bin/ 4. Verifying Your Setup: A Quick Test Workflow
Before launching into complex docking workflows, confirm that the graphical interface initializes without errors.
To use these docking engines effectively, you need a graphical user interface to prepare your input files. That is where , part of the MGLTools suite, becomes essential.
vina --receptor receptor.pdbqt --ligand ligand.pdbqt --center_x 0 --center_y 0 --center_z 0 --size_x 20 --size_y 20 --size_z 20 --out out.pdbqt --log log.txt