https://github.com/jbarnoud/sumndx

Display a short summary of a gromacs index file
https://github.com/jbarnoud/sumndx

Last synced: 16 days ago
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Display a short summary of a gromacs index file

• Host: GitHub
• URL: https://github.com/jbarnoud/sumndx
• Owner: jbarnoud
• License: mit
• Created: 2017-04-06T16:49:16.000Z (almost 8 years ago)
• Default Branch: master
• Last Pushed: 2018-07-31T06:51:37.000Z (over 6 years ago)
• Last Synced: 2024-12-24T04:41:58.697Z (18 days ago)
• Language: Python
• Size: 15.6 KB
• Stars: 0
• Watchers: 2
• Forks: 0
• Open Issues: 0
• Metadata Files:
  • Readme: README.md
  • License: LICENSE.txt

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README

        
SUMNDX -- Quick summary of a Gromacs index file

===============================================

[![PyPI version](https://badge.fury.io/py/sumndx.svg)](https://badge.fury.io/py/sumndx)

Given a Gromacs index file, SUMNDX displays the name and size of the groups.

The program takes the path of an index file as an argument. If no argument is

provided, then the file is read from the standard input.

Usage

-----

```

sumndx index.ndx

sumndx < index.ndx

cat index.ndx | sumndx

```

Example output

--------------

```

0	System	60534

1	Other	60534

2	F216	1944

3	POPC	14976

4	W	42305

5	WF	1309

6	W_WF	43614

```

Installation

------------

SUMNDX does not require to be installed: once the `sumndx` script is

downloaded, it can be executed directly. However, SUMNDX can be installed using

`pip`:

```

pip install sumndx

```

It is possible to install SUMNDX from github using `pip`:

```

pip install git+https://github.com/jbarnoud/sumndx.git

```

[![Build Status](https://travis-ci.org/jbarnoud/sumndx.svg?branch=master)](https://travis-ci.org/jbarnoud/sumndx)