For command-line usage (running AutoGrid or AutoDock via script), the system must know where to find the MGLTools executables.
# Download the tarball wget https://ccsb.scripps.edu/downloads/mgltools_x86_64_linux2_1.5.7.tar.gz mgl tools download
While the docking engines (AutoDock Vina) have moved to newer hosting platforms, MGLTools remains the industry standard for preparing ligand and macromolecule files (converting PDB to PDBQT format) and defining grid boxes for docking simulations. For command-line usage (running AutoGrid or AutoDock via