Package: autodocktools Version: 1.5.4.cvs.20090603-1 Severity: wishlist Hi,
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): prepare_receptor4.py prepare_flexreceptor4.py prepare_ligand4.py prepare_gpf4.py prepare_dpf4.py 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, Michael PS: AutoDock Vina has been released as Open Source, not sure you saw: http://mgl.scripps.edu/forum/viewtopic.php?f=12&t=889&sid=cf91d83c6960dcb75fed469a1c6e7803 -- 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 -- To UNSUBSCRIBE, email to [email protected] with a subject of "unsubscribe". Trouble? Contact [email protected]
