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Pybel 1.3 Released

Date: 11 July 2008

The version 1.3 of Pybel has been released on 2008-07-04.

Changes. The main changes are :
- Additions to Pybel Molecules to take advantage of new features of the OpenBabel toolkit: make3D() for generation of 3D structures, localopt() for geometry optimisation using forcefields, addh() and removeh() for adding and removing hydrogens
- The draw() method of a Molecule allows 2D structure diagram generation and depiction using an interface to OASA
- Breadth-first iteration over molecules with depth information (OBMolAtomBFSIter)
- Integration with cinfony , enabling data to exchanged between OpenBabel and other open source cheminformatics toolkits

Pybel. Pybel is a Python module that allow you to access the Open Babel library in your Python script. OpenBabel is a chemical toolbox designed to speak the many languages of chemical data. It’s an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas.

Download. The download and the installation process of Pybel is detailed on the Open Babel website.

Link: Pybel Documentation

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