{ "info": { "author": "Anders Lervik", "author_email": "andersle@gmail.com", "bugtrack_url": null, "classifiers": [ "Development Status :: 3 - Alpha", "Environment :: Console", "Intended Audience :: Science/Research", "License :: OSI Approved :: GNU Lesser General Public License v2 or later (LGPLv2+)", "Natural Language :: English", "Operating System :: MacOS :: MacOS X", "Operating System :: POSIX", "Programming Language :: Python :: 3", "Programming Language :: Python :: 3.2", "Programming Language :: Python :: 3.3", "Programming Language :: Python :: 3.4", "Programming Language :: Python :: 3.5", "Topic :: Scientific/Engineering :: Physics" ], "description": ".. image:: https://travis-ci.org/andersle/pytrr.svg?branch=master\n :target: https://travis-ci.org/andersle/pytrr\n\n.. image:: https://coveralls.io/repos/github/andersle/pytrr/badge.svg?branch=master\n :target: https://coveralls.io/github/andersle/pytrr?branch=master\n\n\n\n#####\npytrr\n#####\n\n``pytrr`` is a python package for reading .trr [1]_ files from GROMACS [2]_.\n\n``pytrr`` is intended as a lightweight, pure python, library for reading .trr\ntrajectories and it gives access to positions, velocities, etc.\nas numpy arrays.\n\nExample\n=======\n\n.. code:: python\n\n from pytrr import GroTrrReader\n\n with GroTrrReader('traj.trr') as trrfile:\n for frame in trrfile:\n print(frame['step'])\n frame_data = trrfile.get_data()\n print(frame_data['x'][0])\n\n\nInstallation\n============\n\npytrr can be installed via pip:\n\n``pip install pytrr``\n\n\nReferences\n==========\n\n.. [1] http://www.gromacs.org/Developer_Zone/Programming_Guide/XTC_Library\n.. 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