Metadata-Version: 1.1
Name: msmexplorer
Version: 0.3.0
Summary: Visualizations for statistical modelsof biomolecular dynamics.
Home-page: https://github.com/cxhernandez/msmexplorer
Author: Carlos Xavier Hernández
Author-email: cxh@stanford.edu
License: LGPLv2+
Download-URL: https://github.com/cxhernandez/msmexplorer/tarball/master
Description: b'MSMExplorer: data visualizations for biomolecular dynamics'
        b'=========================================================='
        b''
        b'[|Build Status|] (https://travis-ci.org/msmexplorer/msmexplorer) |Build'
        b'status| |Coverage Status| |PyPI version| [|License|]'
        b'(https://opensource.org/licenses/MIT) [|Documentation|]'
        b'(http://msmbuilder.org/msmexplorer/) |DOI|'
        b''
        b'.. raw:: html'
        b''
        b'   <div class="row">'
        b''
        b'.. raw:: html'
        b''
        b'   </div>'
        b''
        b'MSMExplorer is a Python visualization library for statistical models of'
        b'biomolecular dynamics. It provides a high-level interface for drawing'
        b'attractive statistical graphics with'
        b'`MSMBuilder <http://msmbuilder.org>`__.'
        b''
        b'Documentation'
        b'-------------'
        b''
        b'Online documentation is available'
        b'`here <http://msmbuilder.org/msmexplorer/>`__. It includes IPython'
        b'notebooks, detailed API documentation, and other useful info.'
        b''
        b'There are docs for the development version'
        b'`here <http://msmbuilder.org/msmexplorer/development>`__. These should'
        b"more or less correspond with the github master branch, but they're not"
        b'built automatically and thus may fall out of sync at times.'
        b''
        b'Examples'
        b'--------'
        b''
        b'.. code:: python'
        b''
        b'    from msmbuilder.example_datasets import FsPeptide'
        b'    from msmbuilder.featurizer import RMSDFeaturizer'
        b''
        b'    import msmexplorer as msme'
        b''
        b'    # Load Fs Peptide Data'
        b'    traj = FsPeptide().get().trajectories[0]'
        b''
        b'    # Calculate RMSD'
        b'    featurizer = RMSDFeaturizer(reference_traj=traj[0])'
        b'    rmsd = featurizer.partial_transform(traj).flatten()'
        b''
        b'    # Plot Trace'
        b"    msme.plot_trace(rmsd, label='traj0', xlabel='Timestep', ylabel='RMSD (nm)')"
        b''
        b'.. figure:: http://msmbuilder.org/msmexplorer/development/_images/plot_trace.png'
        b'   :alt: '
        b''
        b'The documentation has an `example'
        b'gallery <http://msmbuilder.org/msmexplorer/development/examples/>`__'
        b'with short scripts showing how to use different parts of the package.'
        b''
        b'Dependencies'
        b'------------'
        b''
        b'-  Python 3.4+'
        b''
        b'Mandatory'
        b'~~~~~~~~~'
        b''
        b'-  `numpy <http://www.numpy.org/>`__'
        b''
        b'-  `scipy <http://www.scipy.org/>`__'
        b''
        b'-  `matplotlib <matplotlib.sourceforge.net>`__'
        b''
        b'-  `networkx <https://networkx.github.io/>`__'
        b''
        b'-  `pandas <http://pandas.pydata.org/>`__'
        b''
        b'-  `seaborn <https://stanford.edu/~mwaskom/software/seaborn/>`__'
        b''
        b'-  `statsmodels <http://statsmodels.sourceforge.net/devel/>`__'
        b''
        b'-  `corner <http://corner.readthedocs.io/en/latest/>`__'
        b''
        b'-  `mdtraj <https://mdtraj.org/>`__'
        b''
        b'-  `msmbuilder <https://msmbuilder.org>`__'
        b''
        b'Installation'
        b'------------'
        b''
        b'The preferred installation mechanism for ``msmexplorer`` is with'
        b'``conda``:'
        b''
        b'.. code:: bash'
        b''
        b'    $ conda install -c omnia msmexplorer'
        b''
        b"If you don't have conda, or are new to scientific python, we recommend"
        b'that you download the `Anaconda scientific python'
        b'distribution <https://store.continuum.io/cshop/anaconda/>`__.'
        b''
        b'To install from PyPI, just do:'
        b''
        b'::'
        b''
        b'    pip install msmexplorer'
        b''
        b'You may instead want to use the development version from Github, by'
        b'running'
        b''
        b'::'
        b''
        b'    pip install git+git://github.com/msmexplorer/msmexplorer.git#egg=msmexplorer'
        b''
        b'Development'
        b'-----------'
        b''
        b'https://github.com/msmexplorer/msmexplorer'
        b''
        b'Please'
        b'`submit <https://github.com/msmexplorer/msmexplorer/issues/new>`__ any'
        b'bugs you encounter to the Github issue tracker.'
        b''
        b'License'
        b'-------'
        b''
        b'Released under a MIT license'
        b''
        b'Citing'
        b'------'
        b''
        b'.. code:: bibtex'
        b''
        b'    @misc{msmexplorer,'
        b'      author       = {Carlos X. Hern\xc3\xa1ndez  and'
        b'                      Vijay S. Pande},'
        b'      title        = {MSMExplorer},'
        b'      month        = aug,'
        b'      year         = 2016,'
        b'      doi          = {10.5281/zenodo.154092},'
        b'      url          = {http://dx.doi.org/10.5281/zenodo.154092}'
        b'    }'
        b''
        b'.. |Build Status| image:: https://travis-ci.org/msmexplorer/msmexplorer.svg?branch=master'
        b'.. |Build status| image:: https://ci.appveyor.com/api/projects/status/038hirce0vlx2847?svg=true'
        b'   :target: https://ci.appveyor.com/project/cxhernandez/msmexplorer'
        b'.. |Coverage Status| image:: https://coveralls.io/repos/github/msmexplorer/msmexplorer/badge.svg?branch=master'
        b'   :target: https://coveralls.io/github/msmexplorer/msmexplorer?branch=master'
        b'.. |PyPI version| image:: https://badge.fury.io/py/msmexplorer.svg'
        b'   :target: http://badge.fury.io/py/msmexplorer'
        b'.. |License| image:: https://img.shields.io/badge/license-MIT-red.svg?style=flat'
        b'.. |Documentation| image:: https://img.shields.io/badge/docs-latest-blue.svg?style=flat'
        b'.. |DOI| image:: https://zenodo.org/badge/47228682.svg'
        b'   :target: https://zenodo.org/badge/latestdoi/47228682'
        b''
Keywords: visualizations,biomolecular,simulations,markov state models
Platform: Windows
Platform: Linux
Platform: Mac OS-X
Platform: Unix
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.4
Classifier: Programming Language :: Python :: 3.5
Classifier: Operating System :: Unix
Classifier: Operating System :: MacOS
Classifier: Operating System :: Microsoft :: Windows
Classifier: Topic :: Scientific/Engineering
