Metadata-Version: 1.1
Name: pytrr
Version: 0.4.0
Summary: A package for reading GROMACS .trr files
Home-page: https://github.com/andersle/pytrr
Author: Anders Lervik
Author-email: andersle@gmail.com
License: LGPLv2.1+
Description-Content-Type: UNKNOWN
Description: .. image:: https://travis-ci.org/andersle/pytrr.svg?branch=master
            :target: https://travis-ci.org/andersle/pytrr
        
        .. image:: https://coveralls.io/repos/github/andersle/pytrr/badge.svg?branch=master
            :target: https://coveralls.io/github/andersle/pytrr?branch=master
        
        
        
        #####
        pytrr
        #####
        
        ``pytrr`` is a python package for reading .trr [1]_ files from GROMACS [2]_.
        
        ``pytrr`` is intended as a lightweight, pure python, library for reading .trr
        trajectories and it gives access to positions, velocities, etc.
        as numpy arrays.
        
        Example
        =======
        
        .. code:: python
        
           from pytrr import GroTrrReader
        
           with GroTrrReader('traj.trr') as trrfile:
               for frame in trrfile:
                   print(frame['step'])
                   frame_data = trrfile.get_data()
                   print(frame_data['x'][0])
        
        
        Installation
        ============
        
        pytrr can be installed via pip:
        
        ``pip install pytrr``
        
        
        References
        ==========
        
        .. [1] http://www.gromacs.org/Developer_Zone/Programming_Guide/XTC_Library
        .. [2] http://www.gromacs.org/
        
Keywords: gromacs simulation trr
Platform: UNKNOWN
Classifier: Development Status :: 3 - Alpha
Classifier: Environment :: Console
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: GNU Lesser General Public License v2 or later (LGPLv2+)
Classifier: Natural Language :: English
Classifier: Operating System :: MacOS :: MacOS X
Classifier: Operating System :: POSIX
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.2
Classifier: Programming Language :: Python :: 3.3
Classifier: Programming Language :: Python :: 3.4
Classifier: Programming Language :: Python :: 3.5
Classifier: Topic :: Scientific/Engineering :: Physics
