Chemistry in Debian Science

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

Chemistry tools included in Debian

Structure viewers

2D

3D

Calculations

Molecular Mechanics

Semi Empirical

AbInitio

Utils

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