The PTools library


The PTools library is a toolbox for macromolecular modeling and docking.

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


The documentation is provided in the 'Tutorial/doc' directory. Simply run 'make' in this directory to get a pdf documentation.

Source code may be parsed by an automatic documentation generator called 'Doxygen'. This documentation may only help for the C++ part of the library. after installing Doxygen, simply type 'doxygen' in the directory which contains the 'Doxyfile'. Then look into the html/ directory and find the index.html file generated...

Very quick setup guide:

    git clone
    cd ptools
    virtualenv env
    source env/bin/activate
    pip install cython
    python build
    python install

A more detailed version is in the official tutorial.

About Git branches:

This git repository contains few branches. "master" is the latest "stable" version. "develop" contains the current development version. Other branches are features branches, which are eventually merged into develop.