Metadata-Version: 2.4
Name: rxnsmiles2rinchi
Version: 0.1.1
Summary: Python wrapper for the IUPAC RInChI library
Author-email: Your Name <your@email.com>
License: IUPAC/InChI Trust License No.1.0
Classifier: Programming Language :: Python :: 3
Classifier: Operating System :: OS Independent
Requires-Python: >=3.8
Description-Content-Type: text/markdown
Requires-Dist: rdkit

# rxnsmiles2rinchi

A Python wrapper for the IUPAC RInChI library, using ctypes.

## Install

```bash
pip install .
```

## Usage

```python
from rxnsmiles2rinchi import RInChI

rinchi_tool = RInChI()
rinchi, webrinchikey = rinchi_tool.rxn_smiles_to_rinchi_rinchikey("CC(=O)O.OCC>>CC(=O)OCC")
print(rinchi)
print(webrinchikey)
```
