The Chemical Structures Project provides a set of molecular structures. Each structure is stored in a CML file, that contains the 3D coordinates and some properties of the chemical compound. The project provides also a HTML interface for accessing the data. Two types of archive are available to download:
- a source archive, that contains only CML files and tools for building the HTML files
- a binary archive, that contains the HTML files and the structure as CML and MOL files.
For a better overview, look at the online version!
The version 2.2.0 of Chemical Structure has been released on 2009-07-08. It is a stable upgrade and provides several enhancement. The main changes and fixes are:
- Traditional Chinese translation added
- New compound categories:
- Natural products
- Peptides
- New structures added:
- 4-Aminobutanoic acid
- Tetrahydropyran
- Pyrrol-2-one
- 1,5-Dihydro-2H-pyrrol-2-one
- Norepinephrine
- Coelenterazine
- D-Luciferin.
- R-Adrenaline
- Aspartame
- New version of Jmol included (v11.6.25)
- The license and contributions notices have been added to the HTML pages
- The build system has been updated. The out-of-source build is now supported.
- Compounds and directories are now sorted by alphabetic order
- Several bug fixes
