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Revision 74 as of 2008-10-07 21:39:33
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|| ''[http://www.msg.ameslab.gov/GAMESS/GAMESS.html GAMESS]'' || || || || || || ''[http://www.msg.ameslab.gov/GAMESS/GAMESS.html GAMESS]'' || || || || From the free academic license description on the GAMESS homepage: "The license acknowledges the Gordon group's exclusive distribution rights to GAMESS, and also prohibits you from making copies of the GAMESS code for any purpose except use at your own institution." so it is unlikely that Debian could distribute a package.||

Chemistry in Debian Science

The [http://cdd.alioth.debian.org/science/tasks/chemistry.html Sentinel page] gathers chemistry packages.

Chemistry tools included in Debian

Viewers/Editors

2D Viewers/Editors

3D Structure Viewers

3D Viewers and Calculation Output Visualization

3D Molecular Modelling and Visualization

Calculations

Molecular Mechanics

Semi Empirical

AbInitio

Other

Utils

Other

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

From the free academic license description on the GAMESS homepage: "The license acknowledges the Gordon group's exclusive distribution rights to GAMESS, and also prohibits you from making copies of the GAMESS code for any purpose except use at your own institution." so it is unlikely that Debian could distribute a package.

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

unsure

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

main/contrib

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

GPL 2 vs ASL (not compatible)

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

dead upstream

Useful resources

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