Skip to content

anaome/ptools

 
 

Repository files navigation

The PTools library

build status

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:

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

About

imcforcefield implementation

Resources

License

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published

Languages

  • C++ 22.2%
  • C 17.0%
  • Fortran 15.5%
  • Red 15.3%
  • TeX 12.9%
  • Python 11.7%
  • Other 5.4%