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 https://mychem.svn.sourceforge.net/svnroot/mychem/trunk mychem
The package contains also:
- a short documentation (mychem.docbook)
- MychemAdmin, a graphical interface for creating MySQL chemical database (fig. 1)
Friday, August 17, 2007
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