Chemistry in Debian Science

The 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

bioclipse

bioclipse Wiki

chimera

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.

gopenmol

unsure

jchempaint

main/contrib

jmol

GPL 2 vs ASL (not compatible)

kmovisto

dead upstream

Useful resources