RCSB Python Chemical Reference Utility Classes

Introduction

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

Download the library source software from the project repository:

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 or tox:

python setup.py test

or simply run

tox

Installation is via the program pip.

pip install rcsb.utils.chemref

or install the local repository using:

pip install -e .