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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