Debian Med Project
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Summary
Pharmacology
제약 연구를 위한 데비안 Med 패키지

이 메타패키지는 제약 연구에 유용한 소프트웨어 및 문서 모음에 대한 종속성을 포함합니다.

Description

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
화학 구조 드로잉 프로그램
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
stretch1.6.14-1amd64,arm64,armel,armhf,i386,mips,mipsel,powerpc,ppc64el,s390x
sid1.6.14-1amd64,arm64,armel,armhf,hurd-i386,i386,ia64,kfreebsd-amd64,kfreebsd-i386,mips,mips64el,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: 49 users (27 upd.)*
Versions and Archs
License: DFSG free
Svn

Chemtool은 X11용 GTK+ 기반의 2D 화학 구조 편집기입니다. 이 프로그램은 많은 Bond 스타일 그리고 화학 조판 및 스플라인/아치/커브 화살표에 필요한 대부분의 텍스트 폼을 지원합니다.

그림은 PiCTeX 그림, 비트맵 또는 포스트스크립트 파일(이들의 몇몇은 XFig 파일 을 처리하는 transfig 프로그램을 통해서)로 추후 주석을 위해 MOL 및 PDB 포맷, SVG 또는 XFig 포맷으로 보낼 수 있습니다.

패키지는 helper 프로그램, cht이 들어 있습니다. cht는 chemtool 드로잉 파일에 서 식과 (정확한)분자량 합을 계산하는 프로그램입니다. Cht는 Chemtool에서 호 출되거나 또는 콘솔에서 직접 호출 될 수 있습니다.

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
Planning and Analyzing Dose Finding experiments
Versions of package r-cran-dosefinding
ReleaseVersionArchitectures
jessie0.9-9-1ia64,sparc
sid0.9-9-1ia64
jessie0.9-12-1amd64,arm64,armel,armhf,i386,kfreebsd-amd64,kfreebsd-i386,mips,mipsel,powerpc,ppc64el,s390x
sid0.9-12-1sparc
stretch0.9-13-1amd64,arm64,armel,armhf,i386,mips,mipsel,powerpc,ppc64el,s390x
sid0.9-13-1amd64,arm64,armel,armhf,hurd-i386,i386,kfreebsd-amd64,kfreebsd-i386,mips,mips64el,mipsel,powerpc,ppc64el,s390x
upstream0.9-14
Popcon: 15 users (16 upd.)*
Newer upstream!
License: DFSG free
Svn

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

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
sid1.0b-2 (contrib)all
Popcon: 4 users (2 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. Assume a specific behaviour (and only this) of a drug can be changed in a defined way.

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 193664