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This is a Python package to assist in handling [mmCIF](http://mmcif.wwpdb.org/)
and [BinaryCIF](https://github.com/molstar/BinaryCIF) files compliant with the
[ModelCIF](https://mmcif.wwpdb.org/dictionaries/mmcif_ma.dic/Index/)
extension. It works with Python 3.6 or later.

Please [see the documentation](https://python-modelcif.readthedocs.org/) or some
[worked examples](https://github.com/ihmwg/python-modelcif/tree/main/examples)
for more details.

# Installation with conda or pip

If you are using [Anaconda Python](https://www.anaconda.com/), 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](https://github.com/ihmwg/python-ihm) module. Then run:

```
python3 setup.py build
python3 setup.py install
```

If you want to read or write [BinaryCIF](https://github.com/molstar/BinaryCIF)
files, you will also need the
Python [msgpack](https://github.com/msgpack/msgpack-python) 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](https://nose.readthedocs.io/en/latest/)
or [pytest](https://docs.pytest.org/en/latest/).
