Usage

The HPC_MGLTOOLS_SCRIPTS environment variable provides the base path to the Python scripts provided with the application. If you are using these scripts for your processing you should prefix them with this variable to get the correct path.

For example (using the prepare_ligand4.py script):

 ${HPC_MGLTOOLS_SCRIPTS}/AutoDockTools/Utilities24/prepare_ligand4.py \
     -l cv.pdb \
     -o cv.pdbqt \
     -v