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MGLTools is Available for Debian

by Sargis Dallakyan — last modified 2008-10-30 21:16

Thanks to Steffen Möller from DebianMed, MGLTools is now available for Debian. See, for instance, http://packages.debian.org/sid/autodocktools. This has benefited MGL and DebianMed mutually: DebianMed has added AutoDock, the most cited docking software, and AutoDockTools into its list of drug discovery packages. We, on the other hand, were able to clean up our code and make sure that AutoDockTools can be started without MSLIB, STRIDE, and UTPackages installed.

Tried to install mgltools-vision on debian sid,

Posted by Michal Kaukič at 2008-11-01 02:03

there seem be many things missing, as for now. It depends on mgltools-mglutil which depends on non-existent packages mgltools-sff and qhull (there is old qhull-bin package). The installatin from binary package mgltools_i86Linux2_1.5.4.tar.gz also has one (for me, essential, because the command line editing and completion is unavalaible) problem with readline - it requires very old libreadline4 package; after copying libreadline.so.4.2 and libhistory.so.4.2 (can be found by googling) to lib directory of mgltools things appear to work. Thanks for beginning the effort of creating .deb packages :-) Mgltools deserves better publicity, I think. With .deb packages it happens.

Debian packages working, Ubuntu Jaunty with MGLTools

Posted by Steffen Möller at 2009-01-06 08:29

The Debian packages are now working nicely. To install try

sudo aptitude install autodocktools autogrid autodock

which should be functional on all Debian architectures.

Ubuntu already has autodock and autogrid, the Debian are installable. The more cautious user might prefer to wait for Unbutu Jaunty (the version after intrepid) will ship with the MGLTools directly.

Yes, the installation is now OK,

Posted by Michal Kaukič at 2009-01-06 11:43

just did it on my home PC, 32 bit Debian/sid. Thanks for the good work.

But, mgltools-geomutils should be added

Posted by Michal Kaukič at 2009-01-06 11:56

to above mentioned command, because this package it is not mentioned in the dependencies of mgltools-pmv nor mgltools-dejavu.

Dependencies added

Posted by Steffen Möller at 2009-01-07 05:13

Many, many thanks for spotting this, Michael. I have added the dependencies to the Debian packaging sources and the next release will have them.

Debian packages updated - autodock/grid and autodocktools

Posted by Steffen Möller at 2009-06-21 14:56

The above mentioned corrections for autodocktools' dependencies have now been uploaded to the Debian distribution. The AMD64 platform has problems, at least on my machine, which I would like to hear about from other users. The 32bit Intel packages seem to work just fine. The Debian autodock and autogrid packages were updated from 4.0 to 4.2.1 release candidate 1.

No module named geomutils.geomalgorithms

Posted by surachai joomprabutra at 2009-09-17 02:19

I have tried the aptitude method on Ubuntu 9.04. Installation went well but when I run runAdt command the splash picture frozen. These last 2 lines were shown on my terminal.
"
ImportError: No module named geomutils.geomalgorithms
hit enter to continue
"
Probably because of lack of this specific module in instalation

surachai

Fixed by method mentioned above

Posted by surachai joomprabutra at 2009-09-20 22:31

After adding the dependency mentioned above,it is working now.

Thanks you

Sorry. Didn't read thoroughly before posting.

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