Metadata-Version: 2.1
Name: chemo-standardizer
Version: 0.1.7
Summary: Provides a simple way of standardising molecules as a prelude to e.g. molecular modelling exercises.
Home-page: https://www.ebi.ac.uk/chembldb/index.php/ws
Author: Francis Atkinson
Author-email: francis@ebi.ac.uk
License: Apache License, Version 2.0
Platform: UNKNOWN
Classifier: Development Status :: 2 - Pre-Alpha
Classifier: Environment :: Console
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: Apache Software License
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python
Classifier: Topic :: Scientific/Engineering :: Chemistry

# standardiser

This is a tool designed to provide a simple way of standardising molecules
as a prelude to e.g. molecular modelling exercises.

To install, download this project and ensure that Python can find
the standardise/ directory.
Note that RDKit must also be installed and accessible to Python.

Or, install via pip:
```
pip install standardiser
```

Please see the IPython Notebooks in docs/ or the HTML versions in docs/html/
for more information. The HTML version is also available for browsing at
https://wwwdev.ebi.ac.uk/chembl/extra/francis/standardiser/.

This work was funded by the IMI eTOX project.

This code is released under the Apache 2.0 license.
Copyright [2014] is retained by the EMBL-EBI.


