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]

[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