Quick summary of a Gromacs index file
Project description
SUMNDX -- Quick summary of a Gromacs index file
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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