This repository is a collection of utility tools to analyze molecular dynamics simulation dataset.
The repository currently contains only one python notebook file, thus if anybody is interested in using it, simply download the ipynb file to your machine. A sample input data file (density.dat) is also available. We will be adding more tools in the future.
You will need IPython Notebook to open the ipynb file. If you don't have python notebook setup, higly recommend to download python package from Continuum website. https://www.continuum.io/anaconda-overview
Make sure you have following files after cloning the repository,
Utilities $ ls
3DDataVisualizer.ipynb LICENSE README.md density.dat
IPython Notebook runs on a web brower. Any commonly used web browser (Google Chrome, Safari, Firefox etc) should do the job.
If you are using Mac and Linux, open terminal and type,
Utilities $ ipython notebook 3DDataVisualizer.ipynb
This command will launch default web browser and open the ipynb file. If you are not familier with IPython notebook, please refer to online document to start.
Collaboratory for Advanced Computing and Simulations - CACS website
This project is licensed under the GPL v3.0 License - see the LICENSE.md file for details