README.md

bilab package

Prerequisites

1. Setuptools
2. Boost C++ Library
3. C/C++ compiler

Download and Installation

1. Numpy and Scipy

    git clone git://github.com/numpy/numpy.git numpy
    python setup.py build install  install_data
   

see Scipy's Installation guide at https://www.scipy.org/install.html

2. Boost Library For Installation, please refer to the homepage of Boost Library at http://www.boost.org

    export BOOST_ROOT=/path/to/boost
   

3. bilab

    git clone https://github.com/davecao/bilab.git
    cd bilab
    (sudo) python setup.py install install_data
   

or specify the installation prefix

python setup.py build install_dist --prefix=/path/to/install

Test

python -m bilab.apps.struct_interact --pdb 9mht.pdb --outfmt txt --out 9mht.txt --distance 5.0 --source protein --target nucleic -v

Output

The result is saved to the file named 9mht.txt