Metadata-Version: 2.4
Name: chemtoolkit
Version: 0.1.0
Summary: Cheminformatics utils for Computational Chemists.
Author-email: "Alex S. Moraes" <asmoraes92@gmail.com>
Requires-Python: >=3.8
Description-Content-Type: text/markdown
Requires-Dist: rdkit

# chemtoolkit

Cheminformatics utilities for Computational Chemists, providing helper functions built on top of RDKit to streamline molecular manipulation, file conversions, and structural analysis.

---

## Features

* **Atom Reordering:** Easily reorder atomic indices within RDKit molecules.
* **Format Conversion:** Direct export functions for computational formats like `.xyz`.
* **Pythonic Workflow:** Clean, lightweight helper functions designed to integrate seamlessly into Python scripts and Jupyter notebooks.

---

## Installation

### From PyPI

```bash
pip install chemtoolkit
