Welcome to Ptools! We are a team of scientist mostly interested in theoretical chemistry, particularly in large complex formation. Part of what we do it to provide open-source software, webserver and libraries that help comprehend macromolecular assembly processes.

Here are some of the projects we are currently working on:

• PTools: molecular assembly/folding library in Python - (repo).

• Heligeom Webserver: A webserver for characterizing, manipulating and assembling structural units with a screw organization (repo).

• PTools legacy: legacy version of the PTools library written in C++ & Fortran with Python bindings (repo).

• Chantal PRÉVOST, CNRS, Scientific team leader,
• Benoist LAURENT, CNRS, development team leader (PTools library),
• Hubert Santuz, CNRS, development team leader (heligeom webserver),
• Charles ROBERT, CNRS.

We welcome contributions from the community! If you'd like to contribute to any of our projects, please follow these steps:

1. Fork the repository you want to contribute to.
2. Create a new branch for your feature or bug fix.
3. Make your changes and commit them with descriptive messages.
4. Push your branch to your fork.
5. Open a pull request to the original repository.

• Boyer, B., Ezelin, J., Poulain, P., Saladin, A., Zacharias, M., Robert, C. H. & Prévost, C. An integrative approach to the study of filamentous oligomeric assemblies, with application to RecA. PLOS ONE 10, 1-25 (2015). DOI: 10.1371/journal.pone.0116414
• Boyer, B., Laurent, B., Robert, C. H. and Prévost, C. Modeling Perturbations in Protein Filaments at the Micro and Meso Scale Using NAMD and PTools/Heligeom. Bio-protocol 11(14): e4097 (2021). DOI: 10.21769/BioProtoc.4097.
• Saladin, A., Fiorucci, S., Poulain, P. et al. PTools: an opensource molecular docking library. BMC Struct Biol 9(27) (2009). DOI: 10.1186/1472-6807-9-27

If you have any questions or need support, feel free to reach out to us:

• Email: [email protected]
• Twitter: @your_org
• Website: your-org.com

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