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See also EducationChemistry. '''See also [:Edutainment#chemistry: more...]'''

See also [:Edutainment#chemistry: more...]

Chemistry tools already packaged in Debian

Package

Upstream

alioth.d.o

[http://packages.qa.debian.org/apbs apbs]

[http://apbs.sourceforge.net]

[http://svn.debian.org/wsvn/debichem/unstable/apbs/?rev=0&sc=1 debichem]

[http://packages.qa.debian.org/avogadro avogadro]

[http://avogadro.sourceforge.net]

[http://svn.debian.org/wsvn/debichem/experimental/avogadro/?rev=0&sc=1 debichem]

[http://packages.qa.debian.org/bkchem bkchem]

[http://bkchem.zirael.org]

[http://svn.debian.org/wsvn/debichem/unstable/bkchem/?rev=0&sc=1 debichem]

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

[http://bodr.sourceforge.net]

[http://svn.debian.org/wsvn/debichem/unstable/bodr/?rev=0&sc=1 debichem]

[http://packages.qa.debian.org/cdk cdk]

[http://cdk.sourceforge.net]

[http://svn.debian.org/wsvn/pkg-java/trunk/cdk/?rev=0&sc=1 pkg-java]

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

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

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

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

[http://svn.debian.org/wsvn/debichem/unstable/chemical-mime-data/?rev=0&sc=1 debichem]

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

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

[http://svn.debian.org/wsvn/debichem/unstable/chemtool/?rev=0&sc=1 debichem]

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

[http://easychem.sourceforge.net]

[http://svn.debian.org/wsvn/debichem/unstable/easychem/?rev=0&sc=1 debichem]

[http://packages.qa.debian.org/gabedit gabedit]

[http://gabedit.sourceforge.net]

[http://svn.debian.org/wsvn/debichem/unstable/gabedit/?rev=0&sc=1 debichem]

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

[http://galculator.sourceforge.net]

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

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

[http://svn.debian.org/wsvn/debichem/unstable/garlic/?rev=0&sc=1 debichem]

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

[http://gausssum.sourceforge.net]

[http://svn.debian.org/wsvn/debichem/unstable/gaussum/?rev=0&sc=1 debichem]

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

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

[http://svn.debian.org/wsvn/debichem/unstable/gchempaint/?rev=0&sc=1 debichem]

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

[http://gdis.seul.org]

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

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

[http://svn.debian.org/wsvn/debichem/unstable/ghemical/?rev=0&sc=1 debichem]

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

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

[http://svn.debian.org/wsvn/debichem/unstable/gnome-chemistry-utils/?rev=0&sc=1 debichem]

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

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

[http://svn.debian.org/wsvn/debichem/unstable/gperiodic/?rev=0&sc=1 debichem]

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

[http://www.gromacs.org]

[http://svn.debian.org/wsvn/debichem/unstable/gromacs/?rev=0&sc=1 debichem]

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

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

[http://svn.debian.org/wsvn/pkg-kde/trunk/packages/kdeedu/?rev=0&sc=1 pkg-kde]

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

[http://games.kde.org]

[http://svn.debian.org/wsvn/pkg-kde/trunk/packages/kdegames/?rev=0&sc=1 pkg-kde]

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

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

[http://svn.debian.org/wsvn/debichem/unstable/mopac7/?rev=0&sc=1 debichem]

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

[http://www.mpqc.org]

[http://svn.debian.org/wsvn/debichem/unstable/mpqc/?rev=0&sc=1 debichem]

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

[http://openbabel.sourceforge.net]

[http://svn.debian.org/wsvn/debichem/unstable/openbabel/?rev=0&sc=1 debichem]

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

[http://www.polyxmass.org]

[http://packages.qa.debian.org/psicode psicode]

[www.psicode.org]

[http://svn.debian.org/wsvn/debichem/unstable/psicode/?rev=0&sc=1 debichem]

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

[http://pymol.sourceforge.net]

[http://svn.debian.org/wsvn/debichem/unstable/pymol/?rev=0&sc=1 debichem]

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

[http://www.openrasmol.org]

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

[http://viewmol.sourceforge.net]

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

[http://xdrawchem.sourceforge.net]

[http://svn.debian.org/wsvn/debichem/unstable/xdrawchem/?rev=0&sc=1 debichem]

[http://packages.qa.debian.org/xmakemol xmakemol]

[http://xmakemol.nongnu.org]

[http://svn.debian.org/wsvn/debichem/unstable/xmakemol/?rev=0&sc=1 debichem]

Chemistry tools that could be considered for inclusion in Debian

Package

ITP

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

[http://home.att.net/~larry.finger/drawxtl/ drawxtl]

[http://bugs.debian.org/428750 #428750]

[http://svn.debian.org/wsvn/debichem/wnpp/drawxtl/?rev=0&sc=1 debichem]

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

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

[http://bugs.debian.org/465994 #465994]

[http://www.kdau.com/projects/gelemental/ gelemental]

[http://bugs.debian.org/444861 #444861]

[http://svn.debian.org/wsvn/debichem/wnpp/gelemental/?rev=0&sc=1 debichem]

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

unsure

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

main/contrib

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

main/contrib

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

dead upstream

[http://egad.ucsd.edu/egad/ libegad]

[http://bugs.debian.org/429693 #429693]

[http://svn.debian.org/wsvn/debichem/wnpp/libegad/?rev=0&sc=1 debichem]

[http://www.chem.vt.edu/chem-dept/valeev/software/libint/libint.html libint]

[http://bugs.debian.org/425039 #425039]

[http://svn.debian.org/wsvn/pkg-scicomp/libint/?rev=0&sc=1 pkg-scicomp]

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

[http://svn.debian.org/wsvn/debichem/wnpp/molden/?rev=0&sc=1 debichem]

undistributable

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

[http://svn.debian.org/wsvn/debichem/wnpp/molekel/?rev=0&sc=1 debichem]

now GPL

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

[http://svn.debian.org/wsvn/debichem/wnpp/tinker/?rev=0&sc=1 debichem]

Useful resources