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
Програма для малювання хімічних сполук
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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 — 2D-редактор для малювання хімічних сполук у X11
(використовується GTK+). Він підтримує багато стилів з’єднання, більшу
частину видів показу тексту, що використовуються в хімії та
сплайнові/дугові/криволінійні стрілки.
Малюнки можна експортувати у формати MOL і PDB, для подальшого опису — в
SVG або XFig, у вигляді малюнків PiCTeX, в растрові або Postscript файли
(для деяких операцій використовується програма з XFig — transfig).
Також пакунок містить допоміжну програму, cht, для обчислення формул і
(точно) молекулярної ваги намальованого елемента з файлу chemtool. Cht може
викликатися прямо з Chemtool або з консолі.
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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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