{ "info": { "author": "Matt Swain", "author_email": "m.swain@me.com", "bugtrack_url": null, "classifiers": [ "Intended Audience :: Developers", "Intended Audience :: Healthcare Industry", "Intended Audience :: Science/Research", "License :: OSI Approved :: MIT License", "Programming Language :: Python :: 2", "Programming Language :: Python :: 2.7", "Programming Language :: Python :: 3", "Programming Language :: Python :: 3.2", "Programming Language :: Python :: 3.3", "Programming Language :: Python :: 3.4", "Topic :: Database :: Front-Ends", "Topic :: Internet", "Topic :: Scientific/Engineering", "Topic :: Scientific/Engineering :: Bio-Informatics", "Topic :: Scientific/Engineering :: Chemistry", "Topic :: Software Development :: Libraries :: Python Modules" ], "description": "CIRpy\n=====\n\n.. image:: http://img.shields.io/pypi/v/CIRpy.svg?style=flat\n :target: https://pypi.python.org/pypi/CIRpy\n\n.. image:: http://img.shields.io/pypi/l/CIRpy.svg?style=flat\n :target: https://github.com/mcs07/CIRpy/blob/master/LICENSE\n\n.. image:: http://img.shields.io/travis/mcs07/CIRpy/master.svg?style=flat\n :target: https://travis-ci.org/mcs07/CIRpy\n\n.. image:: http://img.shields.io/coveralls/mcs07/CIRpy/master.svg?style=flat\n :target: https://coveralls.io/r/mcs07/CIRpy?branch=master\n\nIntroduction\n------------\n\n**CIRpy** is a Python interface for the `Chemical Identifier Resolver (CIR)`_ by the CADD Group at the NCI/NIH.\n\nCIR is a web service that will resolve any chemical identifier to another chemical representation. For example, you can\npass it a chemical name and and request the corresponding SMILES string::\n\n >>> import cirpy\n >>> cirpy.resolve('Aspirin', 'smiles')\n 'C1=CC=CC(=C1C(O)=O)OC(C)=O'\n\nCIRpy makes interacting with CIR through Python easy. There's no need to construct url requests and parse XML responses\n\u2014 CIRpy does all this for you.\n\nInstallation\n------------\n\nInstall CIRpy using::\n\n pip install cirpy\n\nAlternatively, try one of the other `installation options`_.\n\nDocumentation\n-------------\n\nFull documentation is available at http://cirpy.readthedocs.org.\n\nContribute\n----------\n\n- Feature ideas and bug reports are welcome on the `Issue Tracker`_.\n- Fork the `source code`_ on GitHub, make changes and file a pull request.\n\nAcknowledgements\n----------------\n\nAll of CIRpy's functionality relies on the fantastic `CIR web service`_ created by the CADD Group at the NCI/NIH.\n\nLicense\n-------\n\nCIRpy is licensed under the `MIT license`_.\n\n.. _`Chemical Identifier Resolver (CIR)`: http://cactus.nci.nih.gov/chemical/structure\n.. _`installation options`: http://cirpy.readthedocs.org/en/latest/guide/install.html\n.. _`CIR web service`: http://cactus.nci.nih.gov/chemical/structure\n.. _`source code`: https://github.com/mcs07/CIRpy\n.. _`Issue Tracker`: https://github.com/mcs07/CIRpy/issues\n.. _`MIT license`: https://github.com/mcs07/CIRpy/blob/master/LICENSE", "description_content_type": null, "docs_url": null, "download_url": "UNKNOWN", "downloads": { "last_day": -1, "last_month": -1, "last_week": -1 }, "home_page": "https://github.com/mcs07/CIRpy", "keywords": "python rest api chemistry cheminformatics", "license": "MIT", "maintainer": null, "maintainer_email": null, "name": "CIRpy", "package_url": "https://pypi.org/project/CIRpy/", "platform": "UNKNOWN", "project_url": "https://pypi.org/project/CIRpy/", "project_urls": { "Download": "UNKNOWN", "Homepage": "https://github.com/mcs07/CIRpy" }, "release_url": "https://pypi.org/project/CIRpy/1.0.2/", "requires_dist": null, "requires_python": null, "summary": "Python wrapper for the NCI Chemical Identifier Resolver (CIR).", "version": "1.0.2" }, "last_serial": 1888410, "releases": { "1.0.1": [ { "comment_text": "", "digests": { "md5": "7d6691ae82f6c29464217c89262f63da", "sha256": "1f7597e5cec1c4ea25a90555fd26bc57fb67d4590bea00617dd8ca2868afa519" }, "downloads": -1, "filename": "CIRpy-1.0.1.tar.gz", "has_sig": false, "md5_digest": "7d6691ae82f6c29464217c89262f63da", "packagetype": "sdist", "python_version": "source", "requires_python": null, "size": 20455, "upload_time": "2015-03-25T14:08:12", "url": "https://files.pythonhosted.org/packages/35/25/ac12d1f47ea403bbcc44cfbd8afdb8d2e9ff7033b8dfea0f38af54fc169c/CIRpy-1.0.1.tar.gz" } ], "1.0.2": [ { "comment_text": "", "digests": { "md5": "79708fe8bd6ed980954e199d09b875bf", "sha256": "b08c1483779e1c8fa6a5da7e383138a33e8396b31f56d827a3bca7c83e689c16" }, "downloads": -1, "filename": "CIRpy-1.0.2.tar.gz", "has_sig": false, "md5_digest": "79708fe8bd6ed980954e199d09b875bf", "packagetype": "sdist", "python_version": "source", "requires_python": null, "size": 20341, "upload_time": "2016-01-04T23:46:47", "url": "https://files.pythonhosted.org/packages/fc/bc/3d7cb58ba6ffcde0d18d3f0e72a22caffe7741485bd1d286fd10d6a9a397/CIRpy-1.0.2.tar.gz" } ] }, "urls": [ { "comment_text": "", "digests": { "md5": "79708fe8bd6ed980954e199d09b875bf", "sha256": "b08c1483779e1c8fa6a5da7e383138a33e8396b31f56d827a3bca7c83e689c16" }, "downloads": -1, "filename": "CIRpy-1.0.2.tar.gz", "has_sig": false, "md5_digest": "79708fe8bd6ed980954e199d09b875bf", "packagetype": "sdist", "python_version": "source", "requires_python": null, "size": 20341, "upload_time": "2016-01-04T23:46:47", "url": "https://files.pythonhosted.org/packages/fc/bc/3d7cb58ba6ffcde0d18d3f0e72a22caffe7741485bd1d286fd10d6a9a397/CIRpy-1.0.2.tar.gz" } ] }