Tuesday, February 27, 2007

Chemical Structure 2.0 released !

The news. The version 2.0 of Chemical Structures released today. This release has many new features and fixes:
- the project contains 524 structures
- the build system is based on CMake
- the user interface has been improved by using a new html design
- SMILES string is displayed on the molecule page
- Python scripts are used to generate html pages (instead of XSLT)
- name and formula indexes are available
- many bug fixes
- ...

Screenshot.


Chemical Structure Project. An online version is available on the following website:
http://chem-file.sourceforge.net/

Download. The last version can be downloaded on this page:
https://sourceforge.net/project/showfiles.php?group_id=169897

About Chemical Structures
. The Chemical Structures project aims to provide a complete set of molecular structures. The version 2.0 contains over 500 structures of organic compounds. In addition to structural data, each file contains complementary informations, like molecular weight, boiling point, melting point or InChI code.
Chemical Structures is part of the Blue Obelisk Data Repository.

1 comment:

Julie said...

Thanks for sharing...
___________________
Julie
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