Summary
Pharmacology
pacchetti Debian Med per la ricerca farmaceutica
Questo metapacchetto contiene le dipendenze per una raccolta di software e
documentazione che è utile per la ricerca farmacologica.
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
programma per il disegno di strutture chimiche
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| Versions of package chemtool |
|---|
| 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 è un editor 2D per X11 per strutture chimiche basato su GTK+.
Supporta molti stili per i legami, la maggior parte dei tipi di testo
necessari per impaginare testi chimici e spline/archi/frecce curve.
I disegni possono essere esportati in formato MOL e PDB, in formato SVG
* XFig per ulteriori annotazioni, come disegni PiCTex, come bitmap o
file PostScript (molti di questi grazie a transfig, il programma compagno
di Xfig).
Il pacchetto contiene anche un programma di aiuto, cht, per calcolare
le formule somma e il peso molecolare (esatto) a partire da un file di
disegno di chemtool. Cht può essere invocato direttamente da Chemtool o
dalla console.
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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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