semvec/pypi-packages huggingface dataset:
modelcif 1.6
Package for handling ModelCIF mmCIF and BinaryCIF files
License: MIT
Requires Python: >=3.6

[![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.5908678.svg)](https://doi.org/10.5281/zenodo.5908678)
[![docs](https://readthedocs.org/projects/python-modelcif/badge/)](https://python-modelcif.readthedocs.org/)
[![conda package](https://img.shields.io/conda/vn/conda-forge/modelcif.svg)](https://anaconda.org/conda-forge/modelcif)
[![pypi package](https://badge.fury.io/py/modelcif.svg)](https://badge.fury.io/py/modelcif)
[![Linux Build Status](https://github.com/ihmwg/python-modelcif/workflows/build/badge.svg)](https://github.com/ihmwg/python-modelcif/actions?query=workflow%3Abuild)
[![Windows Build Status](https://ci.appveyor.com/api/projects/status/5o28oe477ii8ur4h?svg=true)](https://ci.appveyor.com/project/benmwebb/python-modelcif)
[![codecov](https://codecov.io/gh/ihmwg/python-modelcif/branch/main/graph/badge.svg)](https://codecov.io/gh/ihmwg/python-modelcif)

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 2.6 or later of the
[python-ihm](https://github.com/ihmwg/python-ihm) module. Then run:

```
python setup.py build
python 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/).