{ "info": { "author": "Jonathan Barnoud", "author_email": "jonathan@barnoud.net", "bugtrack_url": null, "classifiers": [ "Development Status :: 5 - Production/Stable", "Environment :: Console", "Intended Audience :: Science/Research", "License :: OSI Approved :: MIT License", "Operating System :: OS Independent", "Programming Language :: Python", "Topic :: Scientific/Engineering :: Bio-Informatics", "Topic :: Scientific/Engineering :: Chemistry" ], "description": "SUMNDX -- Quick summary of a Gromacs index file\n===============================================\n\n[![PyPI version](https://badge.fury.io/py/sumndx.svg)](https://badge.fury.io/py/sumndx)\n\nGiven a Gromacs index file, SUMNDX displays the name and size of the groups.\nThe program takes the path of an index file as an argument. If no argument is\nprovided, then the file is read from the standard input.\n\nUsage\n-----\n\n```\nsumndx index.ndx\nsumndx < index.ndx\ncat index.ndx | sumndx\n```\n\nExample output\n--------------\n\n```\n0\tSystem\t60534\n1\tOther\t60534\n2\tF216\t1944\n3\tPOPC\t14976\n4\tW\t42305\n5\tWF\t1309\n6\tW_WF\t43614\n```\n\nInstallation\n------------\n\nSUMNDX does not require to be installed: once the `sumndx` script is\ndownloaded, it can be executed directly. 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