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== Chemistry tools included in Debian == === Structure viewers === * [http://packages.debian.org/unstable/science/avogadro avogadro] advanced molecular editor * [http://packages.debian.org/unstable/science/bkchem bkchem] Python based chemical structures editor * [http://packages.debian.org/unstable/science/chemtool chemtool] Chemical structures drawing program * [http://packages.debian.org/unstable/science/easychem easychem] Draw high-quality molecules and 2D chemical formulas * [http://packages.debian.org/unstable/science/gabedit gabedit] graphical user interface to Ab Initio packages * [http://packages.debian.org/unstable/science/garlic garlic] A visualization program for biomolecules * [http://packages.debian.org/unstable/science/gausssum gausssum] parse and display Gaussian, GAMESS, and etc's output * [http://packages.debian.org/unstable/science/gchempaint gchempaint] 2D chemical structures editor for the GNOME2 desktop * [http://packages.debian.org/unstable/science/gcrystal gcrystal] lightweight crystal structures visualizer * [http://packages.debian.org/unstable/science/gdis gdis] molecular display * [http://packages.debian.org/unstable/science/gdpc gdpc] visualiser of molecular dynamic simulations * [http://packages.debian.org/unstable/gnome/ghemical ghemical] A GNOME molecular modelling environment === Calculations === === Other === |
Chemistry in Debian Science
The [http://cdd.alioth.debian.org/science/tasks/chemistry.html Sentinel page] gathers chemistry packages.
See [http://alioth.debian.org/projects/debichem debichem project on Alioth] - our [http://svn.debian.org/wsvn/debichem SVN] - Join us, if you want to help.
Chemistry tools included in Debian
Structure viewers
[http://packages.debian.org/unstable/science/avogadro avogadro] advanced molecular editor
[http://packages.debian.org/unstable/science/bkchem bkchem] Python based chemical structures editor
[http://packages.debian.org/unstable/science/chemtool chemtool] Chemical structures drawing program
[http://packages.debian.org/unstable/science/easychem easychem] Draw high-quality molecules and 2D chemical formulas
[http://packages.debian.org/unstable/science/gabedit gabedit] graphical user interface to Ab Initio packages
[http://packages.debian.org/unstable/science/garlic garlic] A visualization program for biomolecules
[http://packages.debian.org/unstable/science/gausssum gausssum] parse and display Gaussian, GAMESS, and etc's output
[http://packages.debian.org/unstable/science/gchempaint gchempaint] 2D chemical structures editor for the GNOME2 desktop
[http://packages.debian.org/unstable/science/gcrystal gcrystal] lightweight crystal structures visualizer
[http://packages.debian.org/unstable/science/gdis gdis] molecular display
[http://packages.debian.org/unstable/science/gdpc gdpc] visualiser of molecular dynamic simulations
[http://packages.debian.org/unstable/gnome/ghemical ghemical] A GNOME molecular modelling environment
Calculations
Other
Chemistry tools that could be considered for inclusion in Debian
[http://bugs.debian.org/cgi-bin/pkgreport.cgi?tag=field..chemistry;users=debian-science@lists.debian.org Packages being worked on].
Package |
ITP |
alioth.d.o |
third party |
note |
[http://bioclipse.sourceforge.net bioclipse] |
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[http://wiki.bioclipse.net/index.php?title=Bioclipse_packaging_and_deployment bioclipse Wiki] |
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[http://www.cgl.ucsf.edu/chimera/ chimera] |
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[http://www.csc.fi/gopenmol gopenmol] |
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unsure |
[http://jchempaint.sourceforge.net jchempaint] |
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main/contrib |
[http://jmol.sourceforge.net jmol] |
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GPL 2 vs ASL (not compatible) |
[http://mitglied.lycos.de/PageOfMH/ kmovisto] |
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dead upstream |
General overview for chemistry related software
[http://sourceforge.net/softwaremap/trove_list.php?form_cat=384]
[http://rpmseek.com/cat/Applications/Scientific/Chemistry.html?hl=com&cx=2093]
Useful resources
- See also [:Edutainment#chemistry: more...]