Metadata-Version: 2.1
Name: mofun
Version: 0.9
Summary: Find and replace functional groups in any given periodic structure.
Home-page: https://github.com/wilmerlab/mofun.git
Author: Paul Boone
Author-email: narcissus.pong@gmail.com
License: UNKNOWN
Platform: UNKNOWN
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: ase
Requires-Dist: numpy
Requires-Dist: scipy
Requires-Dist: PyCifRW
Requires-Dist: networkx
Requires-Dist: click
Requires-Dist: ordered-set
Provides-Extra: docs
Requires-Dist: mkdocs-material ; extra == 'docs'
Requires-Dist: mkdocstrings ; extra == 'docs'

# MOFUN

[![MOFUN Refactor Branch Test Status](https://github.com/wilmerlab/mofun/actions/workflows/python-app.yml/badge.svg?branch=main)](https://github.com/wilmerlab/mofun/actions/workflows/python-app.yml)
[![pypi version](https://img.shields.io/pypi/v/mofun.svg)](https://pypi.org/project/mofun/)

MOFUN is a Python package that can find and replace patterns in a molecular structure, across periodic boundaries.

## Installation

Requires Python > 3.8.

```
pip install mofun
```

## Examples

```
mofun {input-structure} {output-structure} -f {find-pattern} -r {replace-pattern}
```

See [Documentation](https://wilmerlab.github.io/mofun/)


