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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

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