# RCBS.py
[![GitHub release (latest by date)](https://img.shields.io/github/v/release/dynamicsUAB/RCBS.py)](https://github.com/dynamicsUAB/RCBS.py)
[![PyPI](https://img.shields.io/pypi/v/RCBS.py)](https://pypi.org/project/RCBS.py/)
![GitHub](https://img.shields.io/github/license/dynamicsUAB/RCBS.py)
[![MDAnalysis](https://img.shields.io/badge/Powered%20by-MDAnalysis-lightgray.svg)](https://www.mdanalysis.org)
## Description
RCBS.py (Reactivity of Chemical and Biochemical Systems) is a Python package that contains several scripts and functions which try to simplify the analysis of MD simulations and, from these, to prepare the system to carry out QM/MM simulations using ChemShell. MD simulations analysis has been built in top of the MDAnalysis python package.
The package is divided into two main modules: *md_analyser* and *qmmm_setup*.
### md_analyser
This module form RCBS.py is useful for performing analysis of MD trajectories in a simple way.
## Installation
### Using pip
```bash
pip install RCBS.py
```
### From source code
1. Clone the repository in you local machine
```git clone https://github.com/dynamicsUAB/RCBS.py.git```
2. Move to the folder
```cd RCBS.py```
3. Install the package using pip or pip3
```pip install RCBS.py```
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