Links to other tasks
Debian Med packages for pharmaceutical research
This metapackage contains dependencies for a
collection of software and documentation which is useful for
The list to the right includes various software projects which are of some interest to the Debian Med Project. Currently, only a few of them are available as Debian packages. It is our goal, however, to include all software in Debian Med which can sensibly add to a high quality Debian Pure Blend.
For a better overview of the project's availability as a Debian package, each head row has a color code according to this scheme:
If you discover a project which looks like a good candidate for Debian Med
to you, or if you have prepared an unofficial Debian package, please do not hesitate to
send a description of that project to the Debian Med mailing list
Debian Med Pharmacology packages
Official Debian packages with high relevance
chemical structures drawing program
|Versions of package chemtool|
License: DFSG free
Chemtool is a GTK+ based 2D chemical structure editor for X11. It
supports many bond styles, most forms of text needed for chemical
typesetting and splines/arcs/curved arrows.
Drawings can be exported to MOL and PDB format, SVG or XFig format for
further annotation, as a PiCTeX drawing, as a bitmap or as Postscript
files (several of these through XFig's companion program transfig).
The package also contains a helper program, cht, to calculate sum
formula and (exact) molecular weight from a chemtool drawing file. Cht
can either be called directly by Chemtool or on the console.
Debian packages in contrib or non-free
preparation of in silico drug screening projects
|Versions of package raccoon|
License: DFSG free, but needs non-free components
The field of computational biology is all about modeling
physiochemical entities. Structural biology is about how
those entities look in 3D and behave. And we have a drug
when we can change that behaviour in a way that we want it
to be changed - and only that behaviour.
Some good part of the characterisation of promising
drug-like compounds for their interaction with a larger protein
can be done on computers. This package helps with getting
collections of small ligands prepared to be fitted against
a particular protein of known structure. That docking itself
is then to be performed by autodock or autodock-vina.
Raccoon may not find the drug, but it may well find a
lead to it. To have this package with Debian shall help
smaller biochemistry labs and grants an opportunity for the
general public to educate itself and/or actively join in to
help the world .... just a bit.