Skip to content
Snippets Groups Projects
Commit 86db6321 authored by James Graham's avatar James Graham Committed by GitHub
Browse files

Added DOI to README.md

parent e35c88e4
No related branches found
No related tags found
No related merge requests found
[![Build Status](https://travis-ci.org/jag1g13/pycgtool.svg?branch=master)](https://travis-ci.org/jag1g13/pycgtool) [![Documentation Status](https://readthedocs.org/projects/pycgtool/badge/?version=master)](http://pycgtool.readthedocs.io/en/master/?badge=master)
[![Build Status](https://travis-ci.org/jag1g13/pycgtool.svg?branch=master)](https://travis-ci.org/jag1g13/pycgtool) [![Documentation Status](https://readthedocs.org/projects/pycgtool/badge/?version=master)](http://pycgtool.readthedocs.io/en/master/?badge=master) [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.259330.svg)](https://doi.org/10.5281/zenodo.259330)
# PyCGTOOL
Please see http://pycgtool.readthedocs.io/en/master/ for full documentation.
......@@ -21,6 +22,8 @@ This version has several advantages over the original C++ implementation CGTOOL:
If you experience problems or wish to see a new feature added please [file an issue](https://github.com/jag1g13/pycgtool/issues).
If you find this useful, please cite as : `Graham, J. (2017). PyCGTOOL, https://doi.org/10.5281/zenodo.259330`
## Usage
Input to PyCGTOOL is GROMACS GRO and XTC files, along with two custom files: MAP and BND. These files provide the atomistic-to-CG mapping and bonded topology respectively. Example files are present in the [test/data](https://github.com/jag1g13/pycgtool/tree/master/test/data) directory. The format of these files is described in the [full documentation] (http://pycgtool.readthedocs.io/en/master/).
......
0% Loading or .
You are about to add 0 people to the discussion. Proceed with caution.
Please register or to comment