# pybacting
[](https://github.com/cthoyt/pybacting/actions/workflows/tests.yml)
[](https://pypi.org/project/pybacting/)
[](https://pybacting.readthedocs.io/en/latest/?badge=latest)
[](https://github.com/psf/black)
[](https://zenodo.org/badge/latestdoi/390711946)
Python wrapper around [Bacting](https://github.com/egonw/bacting).
## Usage
Based on the example from the Bacting page, you can do:
```python
from pybacting import cdk
print(cdk.fromSMILES("COC"))
```
Or you can use some of the more pythonic functions that wrap the functions
exposed through the `pybacting.cdk` object:
```python
import pybacting
print(pybacting.from_smiles("COC"))
```
## Installation
Before installing, you'll need to make sure Maven (`mvn`) is available on your
path. If you're on mac, use `brew install maven`.
```shell
$ pip install pybacting
```
Install the latest code from GitHub:
```shell
$ pip install git+https://github.com/cthoyt/pybacting
```
Download and install from source in development mode:
```shell
$ git clone https://github.com/cthoyt/pybacting
$ cd pybacting
$ pip install --editable .
```
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