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Can I read PTools: an opensource molecular docking library on EtoBox?
PTools: an opensource molecular docking library by Adrien Saladin; Sébastien Fiorucci; Pierre Poulain; Chantal Prévost; Martin Zacharias is a Biochemistry, Genetics and Molecular Biology article available to read on EtoBox.
What is PTools: an opensource molecular docking library about?
## Abstract ## Background Macromolecular docking is a challenging field of bioinformatics. Developing new algorithms is a slow process generally involving routine tasks that should be found in a robust library and not programmed from scratch for every new software application. ## Results We present an object-oriented Python/C++ library to help the development of new docking methods. This library contains low-level routines like PDB-format manipulation functions as well as high-level tools for docking and analyzing results. We also illustrate the ease of use of this library with the detailed implementation of a 3-body docking procedure. ## Conclusion The PTools library can handle molecules at coarse-grained or atomic resolution and allows users to rapidly develop new software. The library is already in use for protein-protein and protein-DNA docking with the ATTRACT program and for simulation analysis. This library is freely available under the GNU GPL license, together with detailed documentation.
Who reads PTools: an opensource molecular docking library?
It is typically read by researchers, students, and practitioners in Biochemistry, Genetics and Molecular Biology.
- Author
- Adrien Saladin; Sébastien Fiorucci; Pierre Poulain; Chantal Prévost; Martin Zacharias
- Publisher
- BioMed Central; Springer (Biomed Central Ltd.); London: BioMed Central, 2001-; Springer Science and Business Media LLC (ISSN 1472-6807)
- Published
- 2009
- Language
- EN
- Field
- Biochemistry, Genetics and Molecular Biology (Life Sciences)