Skip to main content
Join the official 2020 Python Developers SurveyStart the survey!

Quick summary of a Gromacs index file

Project description

SUMNDX -- Quick summary of a Gromacs index file

PyPI version

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

Project details


Download files

Download the file for your platform. If you're not sure which to choose, learn more about installing packages.

Files for sumndx, version 0.0.1.dev19
Filename, size File type Python version Upload date Hashes
Filename, size sumndx-0.0.1.dev19.tar.gz (6.3 kB) File type Source Python version None Upload date Hashes View

Supported by

Pingdom Pingdom Monitoring Google Google Object Storage and Download Analytics Sentry Sentry Error logging AWS AWS Cloud computing DataDog DataDog Monitoring Fastly Fastly CDN DigiCert DigiCert EV certificate StatusPage StatusPage Status page