Projects / Chemical Structures

Chemical Structures

The Chemical Structures project aims to provide a complete set of 3D molecular structures in CML format. As CML format permits structural data and many properties to be included, each file also contains additional information, like molecular weight, boiling point, melting point, or InChI code. Data can be explored with a CML-aware software, like Jmol, or by using a Web browser.

Operating Systems

Recent releases

  •  10 Jul 2009 13:46

    Release Notes: A Traditional Chinese translation has been added. New compound categories (Natural products and Peptides). New structures (4-Aminobutanoic acid, Tetrahydropyran, Pyrrol-2-one, 1,5-Dihydro-2H-pyrrol-2-one, Norepinephrine, Coelenterazine, D-Luciferin, R-Adrenaline, and Aspartame). A new version of Jmol is included (11.6.25). 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 in alphabetical order. There are several bugfixes.

    •  05 Feb 2008 15:19

      Release Notes: The HTML pages have a new style and contain MicroFormat data. Many French translations have been added and Spanish translations are also available. New structures (like carbohydrates) have been added. The project now includes 559 structures.


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