cinfony presents a common API to several cheminformatics toolkits. It uses the Python programming language, and builds on top of OpenBabel, RDKit and the CDK.

Still interested? Here are the installation instructions.

Currently, the docstrings are the best documentation (use help(rdkit), for example). The description of Pybel on the OpenBabel wiki and its API will also be helpful.

And here's a short example to get the juices flowing. Let's read a molecule with OpenBabel, draw it with RDKit and calculate descriptor values with the CDK:

C:\> cinfony # Set environment variables
C:\> python
Python 2.5 (r25:51908, Sep 19 2006, 09:52:17) [MSC v.1310 32 bit (Intel)] on win
32
Type "help", "copyright", "credits" or "license" for more information.
>>> from cinfony import rdkit, cdk, pybel
>>> pybelmol = pybel.readstring("smi", "CCC")
>>> rdkitmol = rdkit.Molecule(pybelmol)
>>> rdkitmol.draw(show=False, filename="propane.png")
>>> print cdk.Molecule(rdkitmol).calcdesc()
{'chi0C': 2.7071067811865475, 'BCUT.4': 4.4795252101839402, 'BCUT.5': 5.14569107
34650307, 'BCUT.2': -0.17199466342172476, 'BCUT.3': 0.048131793579068549, 'BCUT.
0': 11.889999999999995, 'BCUT.1': 12.110018178813911, 'rotatableBondsCount': 2,
'mde.9': 0.0, 'mde.8': 0.0, 'mde.3': 0.0, 'mde.2': 0.0, ... }

What remains to be done? I also want to adapt the individual APIs to highlight special features of each toolkit, and I need to work on documentation.