Summary
Pharmacology
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
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Debian Med Pharmacology packages
Official Debian packages with high relevance
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Chemtool
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| Versions of package chemtool |
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| Release | Version | Architectures |
|---|
| squeeze | 1.6.12-1 | amd64,armel,i386,ia64,kfreebsd-amd64,kfreebsd-i386,mips,mipsel,powerpc,s390,sparc |
| wheezy | 1.6.13-1 | amd64,armel,armhf,i386,ia64,kfreebsd-amd64,kfreebsd-i386,mips,mipsel,powerpc,s390,s390x,sparc |
| jessie | 1.6.13-1 | amd64,armel,armhf,i386,ia64,kfreebsd-amd64,kfreebsd-i386,mips,mipsel,powerpc,s390,s390x,sparc |
| sid | 1.6.13-1 | amd64,armel,armhf,hurd-i386,i386,ia64,kfreebsd-amd64,kfreebsd-i386,mips,mipsel,powerpc,s390,s390x,sparc |
| Debtags of package chemtool: |
|---|
| field | chemistry |
| interface | x11 |
| role | program |
| scope | application |
| uitoolkit | gtk |
| use | editing, learning |
| works-with | image, image:vector |
| works-with-format | svg |
| x11 | application |
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License: DFSG free
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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。
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Debian packages in contrib or non-free
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Raccoon
preparation of in silico drug screening projects
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| Versions of package raccoon |
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| Release | Version | Architectures |
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| wheezy | 1.0-1 (contrib) | all |
| jessie | 1.0-1 (contrib) | all |
| sid | 1.0-1 (contrib) | all |
| upstream | 1.0b |
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License: DFSG free, but needs non-free components
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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.
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