This is a Python package to assist in handling mmCIF and BinaryCIF files compliant with the integrative/hybrid modeling (IHM) extension. It works with Python 2.6 or later (Python 3 is fully supported).
Please see the documentation or some worked examples for more details.
pip install ihm
Note that a C extension module is built for faster parsing of mmCIF files.
This requires that your system has a C compiler. If you don't want to build
the C extension module, install with
pip install ihm --install-option="--without-ext".
To build and install from a clone of the GitHub repository, run
python setup.py build
python setup.py install
Note that a C extension module is built for faster parsing of mmCIF files.
This requires that your system has a C compiler
and SWIG. If either of these components are missing, you
can choose to build without the extension by adding --without-ext to both
setup.py command lines above.
If you want to read or write BinaryCIF files, you will also need the Python msgpack package.
There are a number of testcases in the test directory. Each one can be run
like a normal Python script to test the library. They can also be all run at
once using nose
or pytest. They will also test
the C extension module if it is first built with
python setup.py build_ext --inplace.