Debian Med Project
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Debian Med packages for pharmaceutical research

This metapackage contains dependencies for a collection of software and documentation which is useful for pharmaceutical research.

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

Links to other tasks

Debian Med Pharmacology packages

Official Debian packages with high relevance

Versions of package chemtool
Debtags of package chemtool:
useediting, learning
works-withimage, image:vector
Popcon: 41 users (29 upd.)*
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License: DFSG free

Chemtool 是一个适用于 X11 的 2D 化学分子结构编辑器,使用 GTK+ 用户界面。 它支持多种化学键类型、多种化学格式的文本、弯曲箭头等。

绘图可以导出为 MOL 和 PDB 格式、SVG 或 XFig 格式以便于进一步添加注释、 以及 PiCTeX 绘图格式、bitmap 位图格式或 Postscript 文件。

该软件包还包含了一个辅助程序 cht,可以由 chemtool 绘图结果文件计算分子量。 Cht 可以通过 Chemtool 或者通过控制台来调用。

Please cite: Matthias Brüstle: Chemtool - Moleküle zeichnen mit dem Pinguin. (eprint) Nachr. Chem. 49(11):1310-1313 (2001)
Screenshots of package chemtool
Planning and Analyzing Dose Finding experiments
Versions of package r-cran-dosefinding
Popcon: 11 users (6 upd.)*
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License: DFSG free

The DoseFinding GNU R package provides functions for the design and analysis of dose-finding experiments (with focus on pharmaceutical Phase II clinical trials). It provides functions for: multiple contrast tests, fitting non-linear dose-response models (using Bayesian and non-Bayesian estimation), calculating optimal designs and an implementation of the MCPMod methodology.

Please cite: Jose C. Pinheiro, Björn Bornkamp and Frank Bretz: Design and Analysis of Dose-Finding Studies Combining Multiple Comparisons and Modeling Procedures. (PubMed) Journal of Biopharmaceutical Statistics 16(5):639-656 (2006)

Debian packages in contrib or non-free

preparation of in silico drug screening projects
Versions of package raccoon
wheezy1.0-1 (contrib)all
jessie1.0b-1 (contrib)all
stretch1.0b-1 (contrib)all
sid1.0b-1 (contrib)all
Popcon: 0 users (0 upd.)*
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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.

Please cite: Sandro Cosconati, Stefano Forli, Alex L Perryman, Rodney Harris, David S Goodsell and Arthur J Olson: Virtual screening with AutoDock: theory and practice. (PubMed,eprint) Expert Opinion on Drug Discovery 5(6):597–607 (2010)
*Popularitycontest results: number of people who use this package regularly (number of people who upgraded this package recently) out of 189326