parsnip-cif 1.0.0

Minimal library for parsing CIF & mmCIF files in Python.

parsnip is a minimal Python library for parsing CIF files. While its primary focus is on simplicity and portability, performance-oriented design choices are made where possible.

Importing parsnip allows users to read CIF 1.1 files, as well as many features from the CIF 2.0 and mmCIF formats. Creating a CifFile object provides easy access to name-value pairs, as well as loop_-delimited loops. Data entries can be extracted as python primitives or numpy arrays for further use.

Setup

parsnip may be installed with pip or from conda-forge.

Installation via pip

python -m pip install parsnip-cif

Installation via conda-forge

conda install -c conda-forge parsnip-cif

Installation from source

First, clone the repository:

git clone https://github.com/glotzerlab/parsnip.git
cd parsnip

Then, choose one of the following. While parsnip is only dependent on Numpy, additional dependencies are required to run the tests and build the docs.

pip install .            # Install with no additional dependencies
pip install .[tests]     # Install with dependencies required to run tests
pip install .[tests,doc] # Install with dependencies required to run tests and make docs

To obtain a correct set of locked dependencies, we recommend the use of the uv package manager to install from uv.lock:

uv sync --extra tests # Or --all-extras to build the documentation

Dependencies

numpy>=1.19
more-itertools

Support and Contribution

Please visit our repository on GitHub for the library source code. Any issues or bugs may be reported at our issue tracker, and tips and best practices for contributing to the project are included in the development guide. All contributions to parsnip are welcomed via pull requests!