Known users from DebianScience listed in parenthesis and the debian-science row. See also ?EducationChemistry.

Chemistry tools already packaged in Debian

Package

Upstream

debian-science

alioth.d.o

[http://packages.qa.debian.org/b/bodr.html bodr]

[http://bodr.sourceforge.net]

[http://svn.debian.org/wsvn/debichem/unstable/bodr/ debichem]

[http://packages.qa.debian.org/c/chemeq.html chemeq]

[https://gna.org/projects/chemeq]

[http://packages.qa.debian.org/c/chemical-mime-data.html chemical-mime-data]

[http://chemical-mime.sourceforge.net]

[http://svn.debian.org/wsvn/debichem/unstable/chemical-mime-data/ debichem]

[http://packages.qa.debian.org/c/chemtool.html chemtool]

[http://ruby.chemie.uni-freiburg.de/~martin/chemtool/]

[http://lists.debian.org/debian-science/2005/08/msg00006.html Kenward Vaughan]

[http://svn.debian.org/wsvn/debichem/unstable/chemtool/ debichem]

[http://packages.qa.debian.org/e/easychem.html easychem]

[http://easychem.sourceforge.net]

[http://svn.debian.org/wsvn/debichem/unstable/easychem/ debichem]

[http://packages.qa.debian.org/g/galculator.html galculator]

[http://galculator.sourceforge.net]

[http://lists.debian.org/debian-science/2005/08/msg00006.html Kenward Vaughan]

[http://packages.qa.debian.org/g/garlic.html garlic]

[http://garlic.mefos.hr/garlic/]

[http://svn.debian.org/wsvn/debichem/unstable/garlic/ debichem]

[http://packages.qa.debian.org/g/gausssum.html gausssum]

[http://gausssum.sourceforge.net]

[http://lists.debian.org/debian-science/2005/08/msg00187.html LI Daobing]

[http://svn.debian.org/wsvn/debichem/unstable/gaussum/ debichem]

[http://packages.qa.debian.org/g/gchempaint.html gchempaint]

[http://www.nongnu.org/gchempaint]

[http://svn.debian.org/wsvn/debichem/unstable/gchempaint/ debichem]

[http://packages.qa.debian.org/g/gdis.html gdis]

[http://gdis.seul.org]

[http://packages.qa.debian.org/g/ghemical.html ghemical]

[http://bioinformatics.org/ghemical/]

[http:''/lists.debian.org/debian-science/2005/08/msg00008.html Carlo Segre], [http://lists.debian.org/debian-science/2005/08/msg00006.html Kenward Vaughan]

[http://svn.debian.org/wsvn/debichem/unstable/ghemical/ debichem]

[http://packages.qa.debian.org/g/gnome-chemistry-utils.html gnome-chemistry-utils]

[http://www.nongnu.org/gchemutils]

[http://svn.debian.org/wsvn/debichem/unstable/gnome-chemistry-utils/ debichem]

[http://packages.qa.debian.org/g/gperiodic.html gperiodic]

[http://www.frantz.fi/software/gperiodic.php]

[http://lists.debian.org/debian-science/2005/08/msg00006.html Kenward Vaughan]

[http://svn.debian.org/wsvn/debichem/unstable/gperiodic/ debichem]

[http://packages.qa.debian.org/g/gromacs.html gromacs]

[http://www.gromacs.org]

[http://lists.debian.org/debian-science/2005/08/msg00006.html Kenward Vaughan]

[http://svn.debian.org/wsvn/debichem/unstable/gromacs/ debichem]

[http://packages.debian.org/kalzium.html kalzium]

[http://edu.kde.org/kalzium/]

[http://svn.debian.org/wsvn/pkg-kde/trunk/packages/kdeedu/ pkg-kde]

[http://packages.debian.org/katomic.html katomic]

[http://games.kde.org]

[http://svn.debian.org/wsvn/pkg-kde/trunk/packages/kdegames/ pkg-kde]

[http://packages.qa.debian.org/m/mopac7.html mopac7]

[http://sourceforge.net/projects/mopac7/]

[http://svn.debian.org/wsvn/debichem/unstable/mopac7/ debichem]

[http://packages.qa.debian.org/m/mpqc.html mpqc]

[http://www.mpqc.org]

[http://svn.debian.org/wsvn/debichem/unstable/mpqc/ debichem]

[http://packages.qa.debian.org/o/openbabel.html openbabel]

[http://openbabel.sourceforge.net]

[http://lists.debian.org/debian-science/2005/08/msg00006.html Kenward Vaughan]

[http://svn.debian.org/wsvn/debichem/unstable/openbabel/ debichem]

[http://packages.qa.debian.org/p/polyxmass.html polyxmass]

[http://www.polyxmass.org]

[http://packages.qa.debian.org/p/pymol.html pymol]

[http://pymol.sourceforge.net]

[http://svn.debian.org/wsvn/debichem/unstable/pymol/ debichem]

[http://packages.qa.debian.org/r/rasmol.html rasmol]

[http://www.openrasmol.org]

[http://lists.debian.org/debian-science/2005/08/msg00006.html Kenward Vaughan]

[http://packages.qa.debian.org/v/viewmol.html viewmol]

[http://viewmol.sourceforge.net]

[http://packages.qa.debian.org/x/xdrawchem.html xdrawchem]

[http://xdrawchem.sourceforge.net]

[http://svn.debian.org/wsvn/debichem/unstable/xdrawchem/ debichem]

Chemistry tools that could be considered for inclusion in Debian

Package

ITP

debian-science

alioth.d.o

third party

note

[http://bioclipse.sourceforge.net bioclipse]

[http://wiki.bioclipse.net/index.php?title=Bioclipse_packaging_and_deployment bioclipse Wiki]

[http://bkchem.zirael.org bkchem]

[http://bugs.debian.org/310165 #310165]

[http://svn.debian.org/wsvn/debichem/unstable/bkchem/ debichem]

[http://debian.wgdd.de/debian/dists/unstable/main/source/science debian.wgdd.de]

main

[http://cdk.sourceforge.net cdk]

[http://svn.debian.org/wsvn/pkg-java/trunk/cdk/ pkg-java]

[http://debian.wgdd.de/debian/dists/unstable/contrib/source/science debian.wgdd.de]

main/contrib

[http://www.cgl.ucsf.edu/chimera/ chimera]

[http://lists.debian.org/debian-science/2005/08/msg00006.html Kenward Vaughan]

[http://gabedit.sourceforge.net gabedit]

[http://svn.debian.org/wsvn/debichem/unstable/gabedit/ debichem]

[http://debian.wgdd.de/debian/dists/unstable/main/source/science debian.wgdd.de]

[http://www.msg.ameslab.gov/GAMESS/GAMESS.html GAMESS]

[http://lists.debian.org/debian-science/2005/08/msg00006.html Kenward Vaughan]

[http://www.gamgi.org GAMGI]

[http://www.csc.fi/gopenmol gopenmol]

unsure

[http://jchempaint.sourceforge.net jchempaint]

[http://svn.debian.org/wsvn/pkg-java/trunk/jchempaint/ pkg-java]

[http://debian.wgdd.de/debian/dists/unstable/contrib/source/science debian.wgdd.de]

main/contrib

[http://jmol.sourceforge.net jmol]

[http://lists.debian.org/debian-science/2005/08/msg00091.html Egon Willighagen]

[http://svn.debian.org/wsvn/pkg-java/trunk/jmol/ pkg-java]

[http://debian.wgdd.de/debian/dists/unstable/contrib/source/science debian.wgdd.de]

main/contrib

[http://mitglied.lycos.de/PageOfMH/ kmovisto]

[http://debian.wgdd.de/debian/dists/unstable/main/source/science debian.wgdd.de]

dead upstream

[http://www.cmbi.kun.nl/~schaft/molden/molden.html molden]

[http://svn.debian.org/wsvn/debichem/unstable/molden/ debichem]

[http://debian.wgdd.de/debian/dists/unstable/non-free/source/science debian.wgdd.de]

undistributable

[http://bioinformatics.org/molekel/ molekel]

[http://svn.debian.org/wsvn/debichem/unstable/molekel/ debichem]

now GPL

[http://dasher.wustl.edu/tinker/ tinker]

[http://lists.debian.org/debian-science/2005/08/msg00006.html Kenward Vaughan]

[http://svn.debian.org/wsvn/debichem/unstable/tinker/ debichem]

Useful resources