Friday, August 17, 2007

Mychem 0.2 is out !

Mychem is an extension for MySQL that provides chemical functions. It's based on Open Babel 2 and is distributed under GPL-v2 license. In the current Mychem version, the following functions are supported:
- conversion of chemical files (CML, InChI, SMILES, MDL Mol)
- calculation of some chemical properties (formula, molecular weight)

Other functions, like fingerprint generation or tanimoto calculation are available on the SVN trunk:
svn co mychem

The package contains also:
- a short documentation (mychem.docbook)
- MychemAdmin, a graphical interface for creating MySQL chemical database (fig. 1)

A graphical interface for creating chemistry databaseFigure 1. MychemAdmin, a chemical database creator