{ "info": { "author": "Andrey Smelter", "author_email": "andrey.smelter@gmail.com", "bugtrack_url": null, "classifiers": [ "Development Status :: 4 - Beta", "Environment :: Console", "Intended Audience :: Developers", "Intended Audience :: Science/Research", "License :: OSI Approved :: BSD License", "Operating System :: OS Independent", "Programming Language :: Python :: 2.7", "Programming Language :: Python :: 3.4", "Programming Language :: Python :: 3.5", "Programming Language :: Python :: 3.6", "Programming Language :: Python :: 3.7", "Topic :: Scientific/Engineering :: Bio-Informatics", "Topic :: Software Development :: Libraries :: Python Modules" ], "description": "ctfile\n======\n\n.. image:: https://img.shields.io/pypi/l/ctfile.svg\n :target: https://choosealicense.com/licenses/bsd-3-clause-clear/\n :alt: License information\n\n.. image:: https://img.shields.io/pypi/v/ctfile.svg\n :target: https://pypi.org/project/ctfile\n :alt: Current library version\n\n.. image:: https://img.shields.io/pypi/pyversions/ctfile.svg\n :target: https://pypi.org/project/ctfile\n :alt: Supported Python versions\n\n\nThe ``ctfile`` package is a Python library that facilitates reading and writing\nof ``CTfile`` formats.\n\n``CTfile`` stands for `Chemical Table file`_ which is a family of text-based chemical\nfile formats and is used to describe chemical molecules and reactions.\n\nThe ``ctfile`` package provides ability to parse various chemical table file formats\n(``CTfile`` formats), currently ``molfile`` and ``SDfile``.\n\n\nLinks\n~~~~~\n\n * ctfile @ GitHub_\n * ctfile @ PyPI_\n\n\nInstallation\n~~~~~~~~~~~~\n\nThe ``ctfile`` package runs under Python 2.7 and Python 3.4+. Use pip_ to install.\n\nInstall on Linux, Mac OS X\n--------------------------\n\n.. code:: bash\n\n python3 -m pip install ctfile\n\nInstall on Windows\n------------------\n\n.. code:: bash\n\n py -3 -m pip install ctfile\n\n\nQuickstart\n~~~~~~~~~~\n\n.. code:: python\n\n >>> import ctfile\n >>>\n >>> with open('path/to/ctfile', 'r') as infile:\n >>> ctf = ctfile.load(infile)\n >>>\n\nTODO\n~~~~\n\n* Add support for version ``V3000`` reading of ``CTfile`` formatted files.\n* Add command-line interface.\n* Add ability to convert between ``V2000`` and ``V3000`` syntax.\n* Add proper package documentation.\n\n\nLicense\n~~~~~~~\n\nThis package is distributed under the BSD_ `license`.\n\n\n\n.. _Chemical Table file: https://en.wikipedia.org/wiki/Chemical_table_file\n.. _pip: https://pip.pypa.io\n.. _PyPI: https://pypi.org/project/ctfile\n.. _GitHub: https://github.com/MoseleyBioinformaticsLab/ctfile\n.. _BSD: https://choosealicense.com/licenses/bsd-3-clause-clear/", 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