AutoDock, AutoGrid and the MGLTools for Debian GNU/Linux

There is a series of applications that are key to many in some special communities. The availability of such in Debian, with accompanying helper applications, may be sufficient reason to make people adopt Debian (or one of its descendents) as their next Operating System. One such application is AutoDock.

When we are speaking about AutoDock, we are speaking about many different things:

So, Debian has all these packages, currently in Testing. The autobuilders for the non-free section have already agreed to accept the MGLTools' non-free packages.

aptitude install autodocktools autodock autogrid

The packaging for Debian is maintained together with many other packages in the DebianMed source code managment system. You are welcome to join in - for autodock itself or related packages that you would like to see in your distribution.


These packages are a rather recent event and the tutorials provided by upstream do not reflect this yet. When there is a script mentioned that is not available at first sight, please check out the folder '/usr/share/pyshared/AutoDockTools/Utilities24/'. To help Google to find this wiki page, here the contents of that directory:

$ ls /usr/share/pyshared/AutoDockTools/Utilities24/

$ ls /usr/share/pyshared/AutoDockTools/Utilities24/Tests/

To do for the next release


For an overview on the acceptance of this package, please refer to the popularity-contest page ( for autodocktools or autodocksuite).


Helping ?UpstreamThat said, the developers of AutoDock and the MGLtools need to defend the public money that goes into their development by indicating the distribution and acceptance of their work in the community. The availability of these packages are certainly in the strong interest of their public funding agencies, but please