rcsb.utils.chemref

Name	rcsb.utils.chemref JSON
Version	0.95 JSON
	download
home_page	https://github.com/rcsb/py-rcsb_utils_chemref
Summary	RCSB Python Chemical Reference Data Utility Classes
upload_time	2025-07-15 14:35:09
maintainer	None
docs_url	None
author	John Westbrook
requires_python	None
license	Apache 2.0
keywords
VCS
bugtrack_url
requirements	mmcif rcsb.utils.io rcsb.utils.config configparser obonet networkx chembl-webresource-client
Travis-CI	No Travis.
coveralls test coverage

            # RCSB Python Chemical Reference Utility Classes

[![Build Status](https://dev.azure.com/rcsb/RCSB%20PDB%20Python%20Projects/_apis/build/status/rcsb.py-rcsb_utils_chemref?branchName=master)](https://dev.azure.com/rcsb/RCSB%20PDB%20Python%20Projects/_build/latest?definitionId=6&branchName=master)

## Introduction

This module contains a collection of utility classes for accessing and packaging
PDB chemical reference data.

### Installation

Download the library source software from the project repository:

```bash

git clone --recurse-submodules https://github.com/rcsb/py-rcsb_utils_chemref.git

```

Optionally, run test suite (Python versions 2.7, 3.6, and 3.8) using
[setuptools](https://setuptools.readthedocs.io/en/latest/) or
[tox](http://tox.readthedocs.io/en/latest/example/platform.html):

```bash
python setup.py test

or simply run

tox
```

Installation is via the program [pip](https://pypi.python.org/pypi/pip).

```bash
pip install rcsb.utils.chemref

or install the local repository using:

pip install -e .
```

            

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