Metadata-Version: 2.1
Name: termol
Version: 0.1.1
Summary: A simple molecular renderer for the terminal using RDKit.
Home-page: https://github.com/Nicholas-Freitas/TerMol
Author: Nicholas Freitas
Author-email: Nicholas.Freitas@ucsf.edu
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Requires-Python: >=3.10
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: numpy <2
Requires-Dist: rdkit-pypi

# TerMol
A simple molecular renderer for the terminal using RDKit.

![](assets/molecules.mp4)

## Table of Contents
1. [Overview](#overview)
3. [Installation](#installation)
4. [Usage](#usage)
8. [License](#license)
9. [Contact](#contact)

## Overview
This python package allows for the 2D or 3D rendering of molecules in the terminal, using RDKit and Curses.

## Installation
After cloning the repo, install TerMol with: 
```bash
pip install . 
```

This will also install the requirements of RDKit and numpy. On Windows only, Curses must be installed manually.

## Usage:

Import the package and call the draw function as shown:
```python
import termol

smiles = "c1cc2c(cc1[N+](=O)[O-])[nH]nn2" # Nitrobenzotriazole
name = "Nitrobenzotriazole"
termol.draw(smiles, name=name)
```

The molecule input can be a smiles string or an RDKit-compatible filepath. Optional arguments for the draw function include a molecule name to be displayed, the width and height (in characters) of your preferred canvas, whether to render in animated 3D or static 2D, and whether to have RDKit add hydrogens to the molecule:

```python
termol.draw(input_mol, name=None, width=80, height=40, three_d=True, add_hydrogens=False, timeout=None)
```
## License:
This software is provided under the MIT License.

## Contact:
[Nicholas Freitas](https://github.com/Nicholas-Freitas)

