RCSB Python Chemical Reference Data Utility Classes
Project description
RCSB Python Chemical Reference Utility Classes
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:
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 .
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