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Helper for AutoDockSuite



Dear all,

please wellcome Christian Meesters on Debian-Med.  I am not 100% certain that 
he is already on the mailing list while I am writing these lines, but he 
should surface sooner or later. He is a biophysicist in Mainz (which happens 
to be just across the river Rhine from where I grew up) and helps with 
packaging the Autodocksuite that I have prepared on our svn repository.

The status there is that the binaries are functional, but all the extras like 
man pages and maybe a smallish instruction on something for the readme, all 
that is not present. Where I need help, and possibly also Christian, is then 
the AutoDockToolkit, which is a collection of scripts to prepare structures 
and ligand descriptions for the use with AutoDock. That will be quite a 
challenge from my first look at it.

The package is rather important for all those who think about setting up some 
coherent distributed computing environment for ligand screening. Debian can 
do fantastic jobs here, also virtualised on Windows boxes. For the sake of 
completeness I should mention though, that Windows also runs nicely 
virtualised under Debian and most of its apps with Wine.

Best

Steffen



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