This is a Python package to assist in handling mmCIF and BinaryCIF files compliant with the ModelCIF extension. It works with Python 3.6 or later.

Please see the documentation or some worked examples for more details.

Installation with conda or pip

If you are using Anaconda Python, install with

conda install -c conda-forge modelcif

On a Fedora or RedHat Enterprise Linux box, install with

dnf copr enable salilab/salilab; dnf install python3-modelcif

Alternatively, install with pip:

pip install modelcif

Installation from source code

To build and install from a clone of the GitHub repository, first build and install version 2.11 or later of the python-ihm module. Then run:

python3 setup.py build
python3 setup.py install

If you want to read or write BinaryCIF files, you will also need the Python msgpack package.

Testing

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.