Metadata-Version: 2.1
Name: pytng
Version: 0.2.2a1
Summary: Minimal Cython wrapper of the TNG trajectory library
Home-page: UNKNOWN
Author: Max Linke, Richard J Gowers, Hugo MacDermott-Opeskin
Author-email: max_linke@gmx.de
License: UNKNOWN
Description: ===========================================
        pytng - A python library to read TNG files!
        ===========================================
        
        .. image:: https://travis-ci.com/MDAnalysis/pytng.svg?branch=master
          :target: https://travis-ci.com/MDAnalysis/pytng
        .. image:: https://codecov.io/gh/MDAnalysis/pytng/branch/master/graph/badge.svg
          :target: https://codecov.io/gh/MDAnalysis/pytng
        
        
        This package provides the ``TNGFileIterator`` object to allow simple Pythonic
        access to data contained within TNG files.
        
        .. code-block:: python
        
          import pytng
          import numpy as np
        
          with pytng.TNGFileIterator('traj.tng', 'r') as tng:
        
            positions = np.empty(shape=(tng.n_atoms,3), dtype=np.float32)
        
            for ts in tng:
              time = ts.get_time()
              positions = ts.get_positions(positions)
        
        This package contains Python bindings to libtng_ for TNG file format[1_] [2_].
        This is used by molecular simulation programs such as Gromacs_ for storing the
        topology and results from molecular dynamics simulations.
        
        .. Warning::
        
           This package is under active development. The API is liable to change
           between release versions.
        
        .. _libtng: https://gitlab.com/gromacs/tng
        .. _1: http://link.springer.com/article/10.1007%2Fs00894-010-0948-5
        .. _2: http://onlinelibrary.wiley.com/doi/10.1002/jcc.23495/abstract
        .. _Gromacs: http://manual.gromacs.org/
        
        
        Installation
        ============
        
        To install using pip, simply run
        
        .. code-block:: sh
        
          pip install pytng
        
        To install the latest development version from source, run
        
        .. code-block:: sh
        
          git clone git@github.com:MDAnalysis/pytng.git
          cd pytng
          python setup.py install
        
        
        Getting help
        ============
        
        For help using this library, please drop by the `GitHub issue tracker`_.
        
        .. _GitHub issue tracker: https://github.com/MDAnalysis/pytng/issues
        
        
Platform: UNKNOWN
Requires-Python: >=3.6
Description-Content-Type: text/x-rst
