[Debian-med-packaging] AutoDock/Grid/ToolKit Status

Steffen Moeller steffen_moeller at gmx.de
Wed Dec 26 20:35:18 UTC 2007

Hi Andreas,

Andreas Tille wrote:
> On Wed, 26 Dec 2007, Steffen Moeller wrote:
>> I spent my most recent nights with the AutoDockToolkit. It is a set of
> Thanks for your effort in spending Christmas nights over this stuff
> which sounds quite interesting. I personally have no real use for  it
> and thus feel unable to work as tester of your packages. :-( 
that is fine. I am preparing the packages for my very own teaching and
biochemistry next door. We are pimping their  computer lab with memory
and in exchange get access to it via the grid infrastructure that my EU
project develops. AutoDock is a common denominator.  Regarding your
site, AutoDock has some serious past and presence in virology and
associated biochemistry. You may have colleagues with some interest in
it. It is also available on Windows, but for some batch processing it is
usually Linux that rules.
> What do you think about the time scale for an upload.  Should we mention
> your packages as unofficial for the moment or do you expect an
> upload quite soon?
Upstream (Sargis Dallakyan this is for MGLTools) is very kind, response-
and supportive. However, I am preparing the packages for a Beta version
of theirs and ... it tastes somewhat beta, still, indeed. Also, some
bits of their (and their external) packages come with licenses that we
do not want. I need to know to what degree we need those rogue packages.
Also, the description of the individual packages is non-existant, which
needs to be worked on. In summary: very unofficial.

To the upstream side of the AutoDockSuite I have yet no contact. Once
that is established and positive, this can be released very quickly. So,
for now, it is still unofficial, too.

> Happy new year to you all and thanks for spending holiday nights :)
Well, I personally perceive some Xmas spirit through Debian, beyond the
personal delight.



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