2. A Docker image (www.docker.com) with the preinstalled Enlighten2 package and a reduced version of AmberTools including antechamber, parmchk2 and sqm -for parameterization of the ligand with the second version of the General Amber Force Field (GAFF2) ; pdb4amber, reduce and tleap -for preparation of Amber topology and coordinate files; sander -for MD simulations. It also includes propka3.1 for assignment of protonation states for titratable residues. While it is possible to use the Docker image directly to access the command line tools provided by the Enlighten2 Python package, its main role is to provide access to these tools through the PyMOL plugin. It allows to run Enlighten2 on any platform without the need to install any software other than Docker.