Metadata-Version: 2.1
Name: rcsb.utils.chemref
Version: 0.93
Summary: RCSB Python Chemical Reference Data Utility Classes
Home-page: https://github.com/rcsb/py-rcsb_utils_chemref
Author: John Westbrook
Author-email: john.westbrook@rcsb.org
License: Apache 2.0
Classifier: Development Status :: 3 - Alpha
Classifier: Intended Audience :: Developers
Classifier: Natural Language :: English
Classifier: License :: OSI Approved :: Apache Software License
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.8
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: mmcif>=0.69
Requires-Dist: rcsb.utils.io>=1.12
Requires-Dist: rcsb.utils.config>=0.35
Requires-Dist: configparser; python_version < "3.0"
Requires-Dist: obonet>=0.2.5
Requires-Dist: networkx>=2.4
Requires-Dist: chembl-webresource-client>=0.10.2
Provides-Extra: dev
Requires-Dist: check-manifest; extra == "dev"
Provides-Extra: test
Requires-Dist: coverage; extra == "test"

# 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 .
```
