List of Chemistry Plug-ins and Software at Liverpool University,
http://www.liv.ac.uk/Chemistry/Links/links.html.
Lots of chemistry-specific
software which is constantly updated with new information.
Adobe Acrobat,
www.adobe.com.
Apple QuickDraw 3D,
http://www.apple.com/quicktime/
and
http://download.info.apple.com/Apple_Support_Area/Apple_Software_Updates/English-North_American/DOS-Windows/QuickDraw_3D/
Babel,
www.eyesopen.com/babel.html.
CAChe,
www.cache.fujitsu.com.
Chemdraw and
Chemdraw 3D, www.camsoft.com.
Chemsymphony Java
Beans, www.netgenics.com.
Chemweb,
www.softshell.com.
Chime,
www.mdli.com.
Cortona VRML player,
www.parallelgraphics.com/cortona.
Cosmo Player VRML
player, www.cosmosoftware.com.
GAMESS,
http://www.dl.ac.uk/CFS/cfs.html.
Gaussian,
www.Gaussian.com.
Gif Construction Kit, Alchemy
Mindworks, Inc: www.mindworkshop.com.
Hyperchem,
www.hyper.com.
IsisDraw,
www.mdli.com.
JCAMP-DX Data Viewer,
wwwchem.uwimona.edu.jm:1104/software/jcampdx.html.
Molecules-3d,
www.molecules.com.
MOLPRO,
http://www.tc.bham.ac.uk/molpro/.
MOPAC,
ftp://qcpe6.chem.indiana.edu/MOPAC_Version_7.
Paint Shop Pro
and Animation Shop, Jasc Software, Inc., www.jasc.com.
Rasmol,
ftp://ftp.dcs.ed.ac.uk/pub/rasmol/.
Weblab Viewer
Pro, Molecular Simulations, Inc., www.msi.com.
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Alta Vista, www.altavista.digital.com |
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WebMolecules, www.webmolecules.com/index.shtml |
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The Virtual Museum of Minerals and
Molecules, www.soils.wisc.edu/virtual_museum/ |
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The Protein Databank, www.rcsb.org/pdb/ |
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NCI database of molecular
structures, 129.43.27.140/ncidb2/ |
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Cambridge Crystallographic Data Centre,
http://www.ccdc.cam.ac.uk |
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VRML services, the University of
Erlangen, www2.chemie.uni-erlangen.de/projects/ChemVis/projects.html.
Probably the best set of
VRML resources available on the web |
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xtal-3d, A 3D crystal structure
VRML generator, http://www.ill.fr/dif/3D-crystals/xtal-3d.html |
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The CPK colour scheme was first used in
Rasmol, and is based upon the colours of the popular plastic spacefilling
models which were developed by Corey, Pauling and later improved by Kultun.
This colour scheme colours  atom objects by the atom (element) type, and
is the scheme conventionally used by chemists. The assignment of element type
to colours is: carbon = light-grey, chlorine = green, oxygen = red, bromine and
zinc = brown, hydrogen = white, sodium = blue, nitrogen = light-blue, iron =
purple, sulfur = yellow, calcium and other metals = dark-grey, phosphorus =
orange, unknown = deep-pink. |
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L. Ridder, A. J. Mulholland, J. Vervoort and I. M. C. M. Rietjens, J. Am.
Chem. Soc., 1998, 120, 7641. |
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L. Ridder, A. J. Mulholland, I. M. C. M. Rietjens and J. Vervoort, J. Mol.
Graph. Model., 1999, 17, 163. |
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L. Ridder, A. J. Mulholland, I. M. C. M. Rietjens and J. Vervoort, J. Am.
Chem. Soc., 2000, 122, 8728. |
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P. Ertl, Novartis, www.elsevier.com/inca/homepage/saa/eccc3/paper6/; P. Ertl, Novartis, origin.ch.ic.ac.uk/vchemlib/mol/search/spurt/ |
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P. Lampen, J. Lambert, R. J. Lancashire,
R. S. McDonald, P. S. McIntyre, D. N. Rutledge, T. Fröhlich and A. N.
Davies, Pure Appl. Chem., 1999, 71, 1549,
iupac.chemsoc.org/reports/1999/7108lampen/index.html
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P. W. May, S. H. Ashworth, C. D. O.
Pickard, M. N. R. Ashfold, T. Peakman and J. W. Steeds, PhysChemComm,
1998, 4, http://xlink.rsc.org/?DOI=10.1039/a808830f/.
One of the few scientific
papers to use JCAMP animation properly |
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R. Lancashire, JCAMP, wwwchem.uwimona.edu.jm:1104/software/jcampdx.html#annotation |
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H. S. Rzepa, Chemical Metadata
Standards for the World-Wide Web, http://www.ch.ic.ac.uk/chemime/chemeta.html.
An introduction to the ideas
and basics of metadata with many useful links |
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P. Murray-Rust, Chemical Mark-Up
Language, www.xml-cml.org.
The definitive site for
CML |