Metadata-Version: 1.1
Name: ctfile
Version: 0.1.11
Summary: Parser for chemical table file (CTfile) a family of text-based chemical file formats (e.g. Molfile, SDfile) that describe molecules and chemical reactions.
Home-page: https://github.com/MoseleyBioinformaticsLab/ctfile
Author: Andrey Smelter, Huan Jin
Author-email: andrey.smelter@gmail.com, jinhuan0905@gmail.com
License: BSD
Description: ctfile
        ======
        
        .. image:: https://img.shields.io/pypi/l/ctfile.svg
           :target: https://choosealicense.com/licenses/bsd-3-clause-clear/
           :alt: License information
        
        .. image:: https://img.shields.io/pypi/v/ctfile.svg
           :target: https://pypi.org/project/ctfile
           :alt: Current library version
        
        .. image:: https://img.shields.io/pypi/pyversions/ctfile.svg
           :target: https://pypi.org/project/ctfile
           :alt: Supported Python versions
        
        
        The ``ctfile`` package is a Python library that facilitates reading and writing
        of ``CTfile`` formats.
        
        ``CTfile`` stands for `Chemical Table file`_ which is a family of text-based chemical
        file formats and is used to describe chemical molecules and reactions.
        
        The ``ctfile`` package provides ability to parse various chemical table file formats
        (``CTfile`` formats), currently ``molfile`` and ``SDfile``.
        
        
        Links
        ~~~~~
        
           * ctfile @ GitHub_
           * ctfile @ PyPI_
        
        
        Installation
        ~~~~~~~~~~~~
        
        The ``ctfile`` package runs under Python 2.7 and Python 3.4+. Use pip_ to install.
        
        Install on Linux, Mac OS X
        --------------------------
        
        .. code:: bash
        
           python3 -m pip install ctfile
        
        Install on Windows
        ------------------
        
        .. code:: bash
        
           py -3 -m pip install ctfile
        
        
        Quickstart
        ~~~~~~~~~~
        
        .. code:: python
        
           >>> import ctfile
           >>>
           >>> with open('path/to/ctfile', 'r') as infile:
           >>>     ctf = ctfile.load(infile)
           >>>
        
        TODO
        ~~~~
        
        * Add support for version ``V3000`` reading  of ``CTfile`` formatted files.
        * Add command-line interface.
        * Add ability to convert between ``V2000`` and ``V3000`` syntax.
        * Add proper package documentation.
        
        
        License
        ~~~~~~~
        
        This package is distributed under the BSD_ `license`.
        
        
        
        .. _Chemical Table file: https://en.wikipedia.org/wiki/Chemical_table_file
        .. _pip: https://pip.pypa.io
        .. _PyPI: https://pypi.org/project/ctfile
        .. _GitHub: https://github.com/MoseleyBioinformaticsLab/ctfile
        .. _BSD: https://choosealicense.com/licenses/bsd-3-clause-clear/
Keywords: CTfile SDfile Molfile Ctab
Platform: any
Classifier: Development Status :: 4 - Beta
Classifier: Environment :: Console
Classifier: Intended Audience :: Developers
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: BSD 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: Programming Language :: Python :: 3.7
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Classifier: Topic :: Software Development :: Libraries :: Python Modules
