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autodock packages


The suite autodock (docking small molecules onto a macromolecule) is a
GNU fast evolving code. In Debian testing we find in fact the latest
version 4.3. In Debian stable the autodock version is at 4.0, which is
no more in use, drastically obsolete.

However, in computational chemistry/biology it is Debian stable which
is used. Especially with big machines one can't rely on "unstable" OS.
I have squeeze only for my desktop. Sometimes it fails to print and I
have no time (or capability) to remedy. I wait until with apt-get
upgrade one day it starts printing again. Something that could not be
accepted for computational chemistry/biology.

 What that means? That one tries with binary offered by autodock. It
may well not run, and in fact it does not on my
amd6a/dualopteron-based machine.

Thus, one has to compile autodok from source. Nothing unusual because
many computational codes in chemistry/biology are only offered as
source. But this also means that no one will ever use the latest
versions of autodock deb packages, while being prevented from using
the old versions of autodock. Once Debian testing will become stable,
the compilation of autodock will become obsolete, and so on.

I (vaguely) know the reasons for all that, being intrinsic to the
rules of Debian. However, it remains that such deb compilations are a
waste of time from both the side of the maintainers and the users. I
hope a day will come when a general arrangement will be found to save
time from both sides.

Greetings from an affectinated Debian user

francesco pietra

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