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== General overview for chemistry related software == * [http://zeus.polsl.gliwice.pl/~nikodem/linux4chemistry.html] * [http://lem.ch.unito.it/chem_linux.html] * [http://dmoz.org/Science/Chemistry/Software/] * [http://www.openscience.org] * [http://freshmeat.net/browse/813/] * [http://sourceforge.net/softwaremap/trove_list.php?form_cat=384] * [http://rpmseek.com/cat/Applications/Scientific/Chemistry.html?hl=com&cx=2093] * [http://www.chemlin.de/chemie/software.htm] * [http://www.chemie-webverzeichnis.de/software-linklisten/] * [http://www.claessen.net/chemistry/soft_en.html] * [http://www.chemie.de/products/d/?rcat=5] * [http://www.chemistry-software.com/] * [http://www.ccl.net/] * [http://molvis.sdsc.edu/visres/] * [http://www.umass.edu/microbio/rasmol/othervis.htm] * [http://www.ccp14.ac.uk/] * [http://www.iucr.org/iucr-top/cif/index.html#soft] |
Known users listed in parenthesis.
Chemistry tools already packaged in Debian
[http://packages.qa.debian.org/c/chemtool.html chemtool] ([http://lists.debian.org/debian-science/2005/08/msg00006.html Kenward Vaughan])
galculator ([http://lists.debian.org/debian-science/2005/08/msg00006.html Kenward Vaughan])
ghemical ([http://lists.debian.org/debian-science/2005/08/msg00008.html Carlo Segre], [http://lists.debian.org/debian-science/2005/08/msg00006.html Kenward Vaughan])
gperiodic ([http://lists.debian.org/debian-science/2005/08/msg00006.html Kenward Vaughan])
[http://packages.qa.debian.org/o/openbabel.html openbabel] ([http://lists.debian.org/debian-science/2005/08/msg00006.html Kenward Vaughan])
[http://packages.qa.debian.org/p/polyxmass.html polyxmass]
[http://packages.qa.debian.org/r/rasmol.html rasmol] ([http://lists.debian.org/debian-science/2005/08/msg00006.html Kenward Vaughan])
[http://packages.qa.debian.org/x/xdrawchem.html xdrawchem]
Chemistry tools that have been Debianized but are not yet been included in Debian
From [http://debian.wgdd.de/debian/ debian.wgdd.de]:
bkchem [upstream http:''/bkchem.zirael.org/] ([Li Daobing http:''/bugs.debian.org/cgi-bin/bugreport.cgi?bug=310165])
cdk (and libcdk-java) [upstream http:''/cdk.sf.net/]/ (possibly needs Sun Java so it cannot go to main)
chemical-mime-data (former: chemicalmime) [upstream http:''/cvs.wgdd.de/cgi-bin/cvsweb/chemical-mime-data/]/
gabedit [upstream http:''/lasim.univ-lyon1.fr/allouche/gabedit/]/
gchempaint [upstream http:''/savannah.nongnu.org/projects/gchempaint]/
gcrystal [upstream http:''/savannah.nongnu.org/projects/gcrystal]/
gnome chemistry utils [upstream http:''/savannah.nongnu.org/projects/gchemutils]/
gopenmol [upstream http:''/www.csc.fi/gopenmol/]/ (work in progress)
jchempaint [upstream http:''/jchempaint.sf.net/]/ (possibly needs Sun Java so it cannot go to main)
jmol (and jmol-applet) [upstream http:''/www.jmol.org/]/ (possibly needs Sun Java so it cannot go to main)
kmovisto [upstream http:''/mitglied.lycos.de/["PageOfMH"]/]/ (seems to be a dead project)
molden [upstream http:''/www.cmbi.kun.nl/~schaft/molden/molden.html]/ (licensing issues)
Chemistry tools that could be considered for inclusion in Debian
GAMESS [upstream http:''/www.msg.ameslab.gov/GAMESS/GAMESS.html] ([Kenward Vaughan http:''/lists.debian.org/debian-science/2005/08/msg00006.html])
GROMACS [upstream http:''/www.gromacs.org/] ([Kenward Vaughan http:''/lists.debian.org/debian-science/2005/08/msg00006.html])
Chemistry tools that cannot go to main for licensing reasons
Chimera [upstream http:''/www.cgl.ucsf.edu/chimera/] ([Kenward Vaughan http:''/lists.debian.org/debian-science/2005/08/msg00006.html])
Tinker [upstream http:''/dasher.wustl.edu/tinker/] ([Kenward Vaughan http:''/lists.debian.org/debian-science/2005/08/msg00006.html])