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The PTools library


PTools is an opensource molecular docking library implemented in Python/C++. PTools is designed to perform molecular and macromolecular assembly tasks efficiently, while facilitating development of new analyses in structural biology. PTools includes an implementation of the ATTRACT docking program (Zacharias M. (2003) Protein Science 12:1271).

PTools was begun by Adrien Saladin and Chantal Prévost at the Laboratory for Theoretical Biochemistry (, in collaboration with Pierre Poulain, Sébastien Fiorrucci and Martin Zacharias. Further development has benefited from collaboration with Benoist Laurent, Tap Ha-Duong and Charles Robert.

A more detailed introduction can be found here:

PTools: an opensource molecular docking library. Adrien Saladin, Sébastien Fiorucci, Pierre Poulain, Chantal Prévost and Martin Zacharias, BMC Structural Biology. 2009;9:27. doi: 10.1186/1472-6807-9-27.


Documentation is available in Tutorial/doc

Current Release

Please switch to the branch "Master".


PTools is under active development. Look for PTools release 2.0 soon!