Metadata-Version: 1.1
Name: nmrstarlib
Version: 2.0.6
Summary: Python library for parsing data from NMR-STAR format files
Home-page: https://github.com/MoseleyBioinformaticsLab/nmrstarlib
Author: Andrey Smelter
Author-email: andrey.smelter@gmail.com
License: MIT
Description: nmrstarlib
        ==========
        
        .. image:: https://img.shields.io/pypi/l/nmrstarlib.svg
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           :alt: License information
        
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           :target: https://pypi.org/project/nmrstarlib/
           :alt: Current library version
        
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           :target: https://pypi.org/project/nmrstarlib/
           :alt: Supported Python versions
        
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           :target: http://nmrstarlib.readthedocs.io/en/latest/?badge=latest
           :alt: Documentation status
        
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           :target: https://travis-ci.org/MoseleyBioinformaticsLab/nmrstarlib
           :alt: Travis CI status
        
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           :target: https://codecov.io/gh/MoseleyBioinformaticsLab/nmrstarlib
           :alt: Code coverage information
        
        .. image:: https://img.shields.io/badge/DOI-10.1186%2Fs12859--017--1580--5-blue.svg
           :target: http://bmcbioinformatics.biomedcentral.com/articles/10.1186/s12859-017-1580-5
           :alt: Citation link
        
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        .. image:: https://raw.githubusercontent.com/MoseleyBioinformaticsLab/nmrstarlib/master/docs/_static/images/nmrstarlib_logo.png
           :width: 50%
           :align: center
           :target: http://nmrstarlib.readthedocs.io/
        
        The `nmrstarlib` package is a Python library that facilitates reading and writing
        NMR-STAR formatted files used by the Biological Magnetic Resonance Data Bank (BMRB_)
        for archival of Nuclear Magnetic Resonance (NMR) data.
        
        The `nmrstarlib` package provides facilities to convert NMR-STAR formatted files into
        their equivalent JSONized (JavaScript Object Notation, an open-standard format that
        uses human-readable text to transmit data objects consisting of attribute-value pairs)
        representation and vice versa.
        
        The `nmrstarlib` package also provides facilities to create simulated peak lists for
        different types of standard solution and solid-state NMR experiments from chemical
        shifts and assignment information deposited in NMR-STAR files.
        
        In addition, the `nmrstarlib` package provides methods to visualize chemical shift data.
        
        The `nmrstarlib` package can be used in several ways:
        
           * As a library for accessing and manipulating data stored in NMR-STAR format files.
           * As a command-line tool to convert between NMR-STAR format and its equivalent JSONized
             NMR-STAR format, to create a large number of simulated peak lists,
             and also to visualize chemical shift data.
        
        Citation
        ~~~~~~~~
        
        When using `nmrstarlib` in published work, please cite the following paper:
        
           * Smelter, Andrey, Morgan Astra, and Hunter NB Moseley. "A fast and efficient python
             library for interfacing with the Biological Magnetic Resonance Data Bank."
             *BMC Bioinformatics* 18.1 (2017): 175. doi: `10.1186/s12859-017-1580-5`_.
        
        
        Links
        ~~~~~
        
           * nmrstarlib @ GitHub_
           * nmrstarlib @ PyPI_
           * Documentation @ ReadTheDocs_
        
        Installation
        ~~~~~~~~~~~~
        
        The `nmrstarlib` package runs under Python 2.7 and Python 3.4+, use pip_ to install.
        Starting with Python 3.4, pip_ is included by default.
        
        Install on Linux, Mac OS X
        --------------------------
        
        .. code:: bash
        
           python3 -m pip install nmrstarlib
        
        Install on Windows
        ------------------
        
        .. code:: bash
        
           py -3 -m pip install nmrstarlib
        
        Quickstart
        ~~~~~~~~~~
        
        Import `nmrstarlib` library and create generator function that will yield
        `StarFile` instance(s):
        
        .. code:: python
        
           >>> import nmrstarlib
           >>>
           >>> # "path": path_to_file / path_to_dir / path_to_archive / bmrb_id / file_url
           >>> for starfile in nmrstarlib.read_files("path"):
           ...     print(starfile.bmrbid)         # print BMRB id of StarFile
           ...     print(starfile.source)         # print source of StarFile
           ...     print(list(starfile.keys()))   # print StarFile saveframe categories
           >>>
        
        .. image:: https://raw.githubusercontent.com/MoseleyBioinformaticsLab/nmrstarlib/master/docs/_static/images/nmrstarlib_demo.gif
           :align: center
        
        
        .. note:: Read the `User Guide`_ and `The nmrstarlib Tutorial`_ on ReadTheDocs_
                  to learn more and to see code examples on using the `nmrstarlib` as a
                  library and as a command-line tool.
        
        License
        ~~~~~~~
        
        This package is distributed under the MIT_ `license`.
        
        .. _pip: https://pip.pypa.io/
        .. _docopt: http://docopt.readthedocs.io/
        .. _graphviz: http://graphviz.readthedocs.io/
        .. _BMRB: http://www.bmrb.wisc.edu
        .. _Graphviz download page: http://www.graphviz.org/Download.php
        
        .. _GitHub: https://github.com/MoseleyBioinformaticsLab/nmrstarlib
        .. _ReadTheDocs: http://nmrstarlib.readthedocs.io/
        .. _User Guide: http://nmrstarlib.readthedocs.io/en/latest/guide.html
        .. _The nmrstarlib Tutorial: http://nmrstarlib.readthedocs.io/en/latest/tutorial.html
        .. _PyPI: https://pypi.org/project/nmrstarlib/
        
        .. _MIT: https://choosealicense.com/licenses/mit/
        
        .. _10.1186/s12859-017-1580-5: http://bmcbioinformatics.biomedcentral.com/articles/10.1186/s12859-017-1580-5
        
Keywords: BMRB NMR-STAR parsing nmrstarlib
Platform: any
Classifier: Development Status :: 4 - Beta
Classifier: Environment :: Console
Classifier: Intended Audience :: Developers
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python :: 2.7
Classifier: Programming Language :: Python :: 3.4
Classifier: Programming Language :: Python :: 3.5
Classifier: Programming Language :: Python :: 3.6
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Classifier: Topic :: Software Development :: Libraries :: Python Modules
