[Debian-med-packaging] Bug#580670: autodocktools: Please split out non-gui/biochemistry-oriented python bits

Michael Banck mbanck at debian.org
Fri May 7 16:06:31 UTC 2010

Package: autodocktools
Version: 1.5.4.cvs.20090603-1
Severity: wishlist


I looked at the autodocks plugin for pymol, and unfortunately it seems
to require a couple of scripts from autodocktools (while it is BSD
licensed otherwise):


Those in term require (at least) mgltools-molkit (which again requires
mgltools-mglutil, but has no Depends on it, I think that's a bug) and
the AutoDockTools.MoleculePreparation class from autodocktools itself.

So having those (and any other non-GUI/biochemsitry oriented python
files) split out into its own (support) package which autodocktools
would depend on would be great - users of the pymol autodock plugin
would not have to download the full mgltools/autodocktools suite (which
runs at 100+ MB here).

Thanks you for considering,


PS: AutoDock Vina has been released as Open Source, not sure you saw:

-- System Information:
Debian Release: squeeze/sid
  APT prefers testing
  APT policy: (500, 'testing')
Architecture: i386 (i686)

Kernel: Linux 2.6.32-2-686 (SMP w/1 CPU core)
Locale: LANG=de_DE.UTF-8, LC_CTYPE=de_DE.UTF-8 (charmap=UTF-8)
Shell: /bin/sh linked to /bin/dash

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