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README.rst

The PTools library

https://img.shields.io/travis/ptools/ptools.svg?branch=develop

About

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

A more detailed introduction can be found here: http://www.biomedcentral.com/1472-6807/9/27.

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

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

This is the very minimal set of instructions required to install Ptools in a Python virtual environment. It assumes all Ptools dependencies have been duly installed:

$ virtualenv ptools-env
$ source ptools-env/bin/activate
(ptools-env) $ pip install cython
(ptools-env) $ git clone https://github.com/ptools/ptools.git
(ptools-env) $ cd ptools
(ptools-env) $ python setup.py 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.