Debian Med Project
Help us to see Debian used by medical practitioners and biomedical researchers! Join us on the Alioth page.
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

Debian Med Pharmacology packages

Official Debian packages with high relevance

Chemtool
programma per il disegno di strutture chimiche
Versions of package chemtool
ReleaseVersionArchitectures
squeeze1.6.12-1amd64,armel,i386,ia64,kfreebsd-amd64,kfreebsd-i386,mips,mipsel,powerpc,s390,sparc
wheezy1.6.13-1amd64,armel,armhf,i386,ia64,kfreebsd-amd64,kfreebsd-i386,mips,mipsel,powerpc,s390,s390x,sparc
jessie1.6.14-1amd64,arm64,armel,armhf,i386,ia64,kfreebsd-amd64,kfreebsd-i386,mips,mipsel,powerpc,ppc64el,s390,s390x,sparc
sid1.6.14-1amd64,arm64,armel,armhf,hurd-i386,i386,ia64,kfreebsd-amd64,kfreebsd-i386,mips,mipsel,powerpc,ppc64el,s390,s390x,sparc
Debtags of package chemtool:
fieldchemistry
interfacex11
roleprogram
scopeapplication
uitoolkitgtk
useediting, learning
works-withimage, image:vector
works-with-formatsvg
x11application
Popcon: 74 users (56 upd.)*
Versions and Archs
License: DFSG free
Svn

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.

Please cite: Matthias Brüstle: Chemtool - Moleküle zeichnen mit dem Pinguin. (eprint) Nachr. Chem. 49(11):1310-1313 (2001)
Screenshots of package chemtool
R-cran-dosefinding
pianificazione e analisi di esperimenti di determinazione della dose
Versions of package r-cran-dosefinding
ReleaseVersionArchitectures
jessie0.9-9-1ia64,sparc
sid0.9-9-1ia64
jessie0.9-11-1amd64,armel,armhf,i386,kfreebsd-amd64,kfreebsd-i386,mips,mipsel,powerpc,ppc64el,s390x
sid0.9-11-1amd64,armel,armhf,hurd-i386,i386,kfreebsd-amd64,kfreebsd-i386,mips,mipsel,powerpc,ppc64el,s390x,sparc
Popcon: 6 users (5 upd.)*
Versions and Archs
License: DFSG free
Svn

Il pacchetto GNU R DoseFinding fornisce funzioni per la progettazione e l'analisi di esperimenti di determinazione della dose (con attenzione agli studi clinici farmaceutici di fase II). Fornisce funzioni per: test con contrasti multipli, fit di modelli dose-risposta non lineari (usando stime bayesiane e non bayesiane), calcolo del design ottimale e implementazione della metodologia MCPMod.

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

Raccoon
preparation of in silico drug screening projects
Versions of package raccoon
ReleaseVersionArchitectures
wheezy1.0-1 (contrib)all
jessie1.0b-1 (contrib)all
sid1.0b-1 (contrib)all
Popcon: 0 users (1 upd.)*
Versions and Archs
License: DFSG free, but needs non-free components
Svn

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 170477