{ "info": { "author": "Rajendra Kumar", "author_email": "rjdkmr@gmail.com", "bugtrack_url": null, "classifiers": [ "Environment :: Console", "Intended Audience :: Developers", "Intended Audience :: End Users/Desktop", "Intended Audience :: Science/Research", "License :: OSI Approved :: GNU General Public License v3 (GPLv3)", "Natural Language :: English", "Operating System :: MacOS", "Operating System :: POSIX :: Linux", "Topic :: Scientific/Engineering :: Bio-Informatics" ], "description": ".. image:: https://travis-ci.org/rjdkmr/pyOBabel.svg?branch=master\n :target: https://travis-ci.org/rjdkmr/pyOBabel\n\npyOBabel\n========\n\nIt is a Python interface for `openbabel chemical toolbox `_.\n\nIt is not the official Python interface of openbabel and may lack many functionality of openbabel.\nIf you are looking for official Python, Please follow this\n`link `_.\n\n\nWhy another Python interface\n----------------------------\nThe official Python interface to openbabel was built using `SWIG `_.\nHowever, I used `pybind11 `_ to built the Python interface.\nIt gives flexibility in building Python interface such that the obtained Python interface\ncan be used in pythonic way.\n\n\nPlease cite the original publication of the openbabel:\n------------------------------------------------------\n# O'Boyle et al (2011)\n# Open Babel: An open chemical toolbox\n# Journal of Cheminformatics 2011 3:33\n# https://doi.org/10.1186/1758-2946-3-33 .", "description_content_type": "", "docs_url": null, "download_url": "", "downloads": { "last_day": -1, "last_month": -1, "last_week": -1 }, "home_page": "https://github.com/rjdkmr/pyOBabel", "keywords": "Molecular Modeling,Chemoinformatics,Computational Chemistry,Computational Drug Design", "license": "GNU General Public License v3 (GPLv3)", "maintainer": "", "maintainer_email": "", "name": "pyOBabel", "package_url": "https://pypi.org/project/pyOBabel/", "platform": "", "project_url": "https://pypi.org/project/pyOBabel/", "project_urls": { "Homepage": "https://github.com/rjdkmr/pyOBabel" }, "release_url": "https://pypi.org/project/pyOBabel/0.1.1/", "requires_dist": null, "requires_python": "", "summary": "A python binding to openbabel chemical toolbox (http://openbabel.org)", "version": "0.1.1" }, "last_serial": 4110504, "releases": { "0.1.1": [ { "comment_text": "", "digests": { "md5": "8a45174a8b811a84c4e3c222806fd38b", "sha256": "844989ce01d88fec774054c0f34bfc8c1e429e27975bbe3f5bc90703ac1935f2" }, "downloads": -1, "filename": "pyOBabel-0.1.1-cp27-cp27m-manylinux1_x86_64.whl", "has_sig": false, "md5_digest": "8a45174a8b811a84c4e3c222806fd38b", "packagetype": "bdist_wheel", "python_version": "cp27", "requires_python": null, "size": 10200096, "upload_time": "2018-07-27T23:05:59", "url": "https://files.pythonhosted.org/packages/10/e0/6f64675d0055a8677e1c1824cbd456f47a0d6348a1c6c1aa4a81be9d9bad/pyOBabel-0.1.1-cp27-cp27m-manylinux1_x86_64.whl" }, { "comment_text": "", "digests": { "md5": "c47f8e51777e5a36639f554638d6fb7d", "sha256": "ba2bc9c1f120694cd08b7bd11ca1995d245971f78632c95c8cb1ff5644f1a073" }, "downloads": -1, "filename": "pyOBabel-0.1.1-cp27-cp27mu-manylinux1_x86_64.whl", "has_sig": false, "md5_digest": "c47f8e51777e5a36639f554638d6fb7d", "packagetype": "bdist_wheel", "python_version": "cp27", "requires_python": null, "size": 10200057, "upload_time": "2018-07-27T23:06:03", "url": "https://files.pythonhosted.org/packages/8f/b9/770a8550c2ad9b785c05f9b66118caffd1f3a2eef5930a63efbe53d93cb1/pyOBabel-0.1.1-cp27-cp27mu-manylinux1_x86_64.whl" }, { "comment_text": "", "digests": { "md5": "b5cec267fe5e98fdefe889042f02c43b", "sha256": "a0318ee5758c2ed348e80128761f56389d9dcc0df750263e14284d76e54b0f24" }, "downloads": -1, "filename": "pyOBabel-0.1.1-cp34-cp34m-macosx_10_12_x86_64.whl", "has_sig": false, "md5_digest": "b5cec267fe5e98fdefe889042f02c43b", "packagetype": "bdist_wheel", "python_version": "cp34", "requires_python": null, "size": 2881825, "upload_time": "2018-07-27T20:56:34", "url": "https://files.pythonhosted.org/packages/8d/ac/cf52b72ef411237fcdeaf260f7816167d424b7166c329ff1efa8c8161663/pyOBabel-0.1.1-cp34-cp34m-macosx_10_12_x86_64.whl" }, { "comment_text": "", "digests": { "md5": "3faf0af64eb89fd5b96f44ada05f279a", "sha256": "5690290be6159ea45d1fb8571a6379d5cc7005c6ca770e1d02c8ce2bad356bfd" }, "downloads": -1, "filename": "pyOBabel-0.1.1-cp34-cp34m-manylinux1_x86_64.whl", "has_sig": false, "md5_digest": "3faf0af64eb89fd5b96f44ada05f279a", "packagetype": "bdist_wheel", "python_version": "cp34", "requires_python": null, "size": 10178908, "upload_time": "2018-07-27T23:06:06", "url": "https://files.pythonhosted.org/packages/66/00/a4670f592a5b2a7e9ccb7fb4bd978e724ed1065930bd7bfc481d6f8077b2/pyOBabel-0.1.1-cp34-cp34m-manylinux1_x86_64.whl" }, { "comment_text": "", "digests": { "md5": "fe9e0cef8ddb2d4515120f48a6d5001b", "sha256": "4e3b7a6323b2a12b85eb8aae10905aae378a55178f97eab3961ccbc8c5b0076d" }, "downloads": -1, "filename": "pyOBabel-0.1.1-cp35-cp35m-macosx_10_12_x86_64.whl", "has_sig": false, "md5_digest": "fe9e0cef8ddb2d4515120f48a6d5001b", "packagetype": "bdist_wheel", "python_version": "cp35", "requires_python": null, "size": 2881833, "upload_time": "2018-07-27T20:56:41", "url": "https://files.pythonhosted.org/packages/6f/1a/395685d3bfd36760597f9cdcddf5a3c4016be3c5c14387ce126462b1f8f2/pyOBabel-0.1.1-cp35-cp35m-macosx_10_12_x86_64.whl" }, { "comment_text": "", "digests": { "md5": "01e6210a40589f20d5379e64be48efc0", "sha256": "fab3f6722410b2c67bebadbd719fd9c03002bd1b55533fb6bbab30e415ec0d5c" }, "downloads": -1, "filename": "pyOBabel-0.1.1-cp35-cp35m-manylinux1_x86_64.whl", "has_sig": false, "md5_digest": "01e6210a40589f20d5379e64be48efc0", "packagetype": "bdist_wheel", "python_version": "cp35", "requires_python": null, "size": 10180471, "upload_time": "2018-07-27T23:06:10", "url": "https://files.pythonhosted.org/packages/42/7d/0b3efbea65bc3f653b3d611e9fafdf4ddbff69506cf7c86c4b525209f0c2/pyOBabel-0.1.1-cp35-cp35m-manylinux1_x86_64.whl" }, { "comment_text": "", "digests": { "md5": "1aeb724f7894aafebde827e083439f3d", "sha256": "5bcc35f6220f7c3d9987e405757343a1599444a8a45ceef826879b5917f7a9af" }, "downloads": -1, "filename": "pyOBabel-0.1.1-cp36-cp36m-macosx_10_12_x86_64.whl", "has_sig": false, "md5_digest": "1aeb724f7894aafebde827e083439f3d", "packagetype": "bdist_wheel", "python_version": "cp36", "requires_python": null, "size": 2881849, "upload_time": "2018-07-27T20:58:23", "url": "https://files.pythonhosted.org/packages/da/5f/e8623efefbfb13ceec5759cb871987b4c47272aace21eea75887fed6288b/pyOBabel-0.1.1-cp36-cp36m-macosx_10_12_x86_64.whl" }, { "comment_text": "", "digests": { "md5": "50935ebc24ce1a16f70839d6178e8696", "sha256": "ae6c89b5d88b384df262887b6910db211d72af4664b4ec9a8d66c249ea222aeb" }, "downloads": -1, "filename": "pyOBabel-0.1.1-cp36-cp36m-manylinux1_x86_64.whl", "has_sig": false, "md5_digest": "50935ebc24ce1a16f70839d6178e8696", "packagetype": "bdist_wheel", "python_version": "cp36", "requires_python": null, "size": 10181323, "upload_time": "2018-07-27T23:06:14", "url": "https://files.pythonhosted.org/packages/e6/1e/710934551f3c5069f22ea8efc15976e166051095c4a167af7489548a1eac/pyOBabel-0.1.1-cp36-cp36m-manylinux1_x86_64.whl" }, { "comment_text": "", "digests": { "md5": "b80966d0c22c41990eb652fe895bd1ef", "sha256": "2740e6c2b1842d087035026449b8f7a41ca4310871b47bce275ef393c5438e01" }, "downloads": -1, "filename": "pyOBabel-0.1.1-cp37-cp37m-manylinux1_x86_64.whl", "has_sig": false, "md5_digest": "b80966d0c22c41990eb652fe895bd1ef", "packagetype": "bdist_wheel", "python_version": "cp37", "requires_python": null, "size": 10191700, "upload_time": "2018-07-27T23:06:17", "url": "https://files.pythonhosted.org/packages/7c/b1/e07d0360e519ed38ca5581a4250a412ad890ad2cecb1749ecd8eef333245/pyOBabel-0.1.1-cp37-cp37m-manylinux1_x86_64.whl" }, { "comment_text": "", "digests": { "md5": "d0c3a08333253e599ef4348a0b13e1b6", "sha256": "846f91d54df0f9de37400bc1a2e9588f5270dbab244bd3501ae99b2d67b6ad80" }, "downloads": -1, "filename": "pyOBabel-0.1.1.tar.gz", "has_sig": false, "md5_digest": "d0c3a08333253e599ef4348a0b13e1b6", "packagetype": "sdist", "python_version": "source", "requires_python": null, "size": 21898, "upload_time": "2018-07-27T15:24:52", "url": "https://files.pythonhosted.org/packages/6a/4b/ba59f0ce82b716e540782857f7b8dc3c005a7aa1c90c527448249ac6f819/pyOBabel-0.1.1.tar.gz" } ] }, "urls": [ { "comment_text": "", "digests": { "md5": "8a45174a8b811a84c4e3c222806fd38b", "sha256": "844989ce01d88fec774054c0f34bfc8c1e429e27975bbe3f5bc90703ac1935f2" }, "downloads": -1, "filename": "pyOBabel-0.1.1-cp27-cp27m-manylinux1_x86_64.whl", "has_sig": false, "md5_digest": "8a45174a8b811a84c4e3c222806fd38b", "packagetype": "bdist_wheel", "python_version": "cp27", "requires_python": null, "size": 10200096, "upload_time": "2018-07-27T23:05:59", "url": "https://files.pythonhosted.org/packages/10/e0/6f64675d0055a8677e1c1824cbd456f47a0d6348a1c6c1aa4a81be9d9bad/pyOBabel-0.1.1-cp27-cp27m-manylinux1_x86_64.whl" }, { "comment_text": "", "digests": { "md5": "c47f8e51777e5a36639f554638d6fb7d", "sha256": "ba2bc9c1f120694cd08b7bd11ca1995d245971f78632c95c8cb1ff5644f1a073" }, "downloads": -1, "filename": "pyOBabel-0.1.1-cp27-cp27mu-manylinux1_x86_64.whl", "has_sig": false, "md5_digest": "c47f8e51777e5a36639f554638d6fb7d", "packagetype": "bdist_wheel", "python_version": "cp27", "requires_python": null, "size": 10200057, "upload_time": "2018-07-27T23:06:03", "url": "https://files.pythonhosted.org/packages/8f/b9/770a8550c2ad9b785c05f9b66118caffd1f3a2eef5930a63efbe53d93cb1/pyOBabel-0.1.1-cp27-cp27mu-manylinux1_x86_64.whl" }, { "comment_text": "", "digests": { "md5": "b5cec267fe5e98fdefe889042f02c43b", "sha256": "a0318ee5758c2ed348e80128761f56389d9dcc0df750263e14284d76e54b0f24" }, "downloads": -1, "filename": "pyOBabel-0.1.1-cp34-cp34m-macosx_10_12_x86_64.whl", "has_sig": false, "md5_digest": "b5cec267fe5e98fdefe889042f02c43b", "packagetype": "bdist_wheel", "python_version": "cp34", "requires_python": null, "size": 2881825, "upload_time": "2018-07-27T20:56:34", "url": "https://files.pythonhosted.org/packages/8d/ac/cf52b72ef411237fcdeaf260f7816167d424b7166c329ff1efa8c8161663/pyOBabel-0.1.1-cp34-cp34m-macosx_10_12_x86_64.whl" }, { "comment_text": "", "digests": { "md5": "3faf0af64eb89fd5b96f44ada05f279a", "sha256": "5690290be6159ea45d1fb8571a6379d5cc7005c6ca770e1d02c8ce2bad356bfd" }, "downloads": -1, "filename": "pyOBabel-0.1.1-cp34-cp34m-manylinux1_x86_64.whl", "has_sig": false, "md5_digest": "3faf0af64eb89fd5b96f44ada05f279a", "packagetype": "bdist_wheel", "python_version": "cp34", "requires_python": null, "size": 10178908, "upload_time": "2018-07-27T23:06:06", "url": "https://files.pythonhosted.org/packages/66/00/a4670f592a5b2a7e9ccb7fb4bd978e724ed1065930bd7bfc481d6f8077b2/pyOBabel-0.1.1-cp34-cp34m-manylinux1_x86_64.whl" }, { "comment_text": "", "digests": { "md5": "fe9e0cef8ddb2d4515120f48a6d5001b", "sha256": "4e3b7a6323b2a12b85eb8aae10905aae378a55178f97eab3961ccbc8c5b0076d" }, "downloads": -1, "filename": "pyOBabel-0.1.1-cp35-cp35m-macosx_10_12_x86_64.whl", "has_sig": false, "md5_digest": "fe9e0cef8ddb2d4515120f48a6d5001b", "packagetype": "bdist_wheel", "python_version": "cp35", "requires_python": null, "size": 2881833, "upload_time": "2018-07-27T20:56:41", "url": "https://files.pythonhosted.org/packages/6f/1a/395685d3bfd36760597f9cdcddf5a3c4016be3c5c14387ce126462b1f8f2/pyOBabel-0.1.1-cp35-cp35m-macosx_10_12_x86_64.whl" }, { "comment_text": "", "digests": { "md5": "01e6210a40589f20d5379e64be48efc0", "sha256": "fab3f6722410b2c67bebadbd719fd9c03002bd1b55533fb6bbab30e415ec0d5c" }, "downloads": -1, "filename": "pyOBabel-0.1.1-cp35-cp35m-manylinux1_x86_64.whl", "has_sig": false, "md5_digest": "01e6210a40589f20d5379e64be48efc0", "packagetype": "bdist_wheel", "python_version": "cp35", "requires_python": null, "size": 10180471, "upload_time": "2018-07-27T23:06:10", "url": "https://files.pythonhosted.org/packages/42/7d/0b3efbea65bc3f653b3d611e9fafdf4ddbff69506cf7c86c4b525209f0c2/pyOBabel-0.1.1-cp35-cp35m-manylinux1_x86_64.whl" }, { "comment_text": "", "digests": { "md5": "1aeb724f7894aafebde827e083439f3d", "sha256": "5bcc35f6220f7c3d9987e405757343a1599444a8a45ceef826879b5917f7a9af" }, "downloads": -1, "filename": "pyOBabel-0.1.1-cp36-cp36m-macosx_10_12_x86_64.whl", "has_sig": false, "md5_digest": "1aeb724f7894aafebde827e083439f3d", "packagetype": "bdist_wheel", "python_version": "cp36", "requires_python": null, "size": 2881849, "upload_time": "2018-07-27T20:58:23", "url": "https://files.pythonhosted.org/packages/da/5f/e8623efefbfb13ceec5759cb871987b4c47272aace21eea75887fed6288b/pyOBabel-0.1.1-cp36-cp36m-macosx_10_12_x86_64.whl" }, { "comment_text": "", "digests": { "md5": "50935ebc24ce1a16f70839d6178e8696", "sha256": "ae6c89b5d88b384df262887b6910db211d72af4664b4ec9a8d66c249ea222aeb" }, "downloads": -1, "filename": "pyOBabel-0.1.1-cp36-cp36m-manylinux1_x86_64.whl", "has_sig": false, "md5_digest": "50935ebc24ce1a16f70839d6178e8696", "packagetype": "bdist_wheel", "python_version": "cp36", "requires_python": null, "size": 10181323, "upload_time": "2018-07-27T23:06:14", "url": "https://files.pythonhosted.org/packages/e6/1e/710934551f3c5069f22ea8efc15976e166051095c4a167af7489548a1eac/pyOBabel-0.1.1-cp36-cp36m-manylinux1_x86_64.whl" }, { "comment_text": "", "digests": { "md5": "b80966d0c22c41990eb652fe895bd1ef", "sha256": "2740e6c2b1842d087035026449b8f7a41ca4310871b47bce275ef393c5438e01" }, "downloads": -1, "filename": "pyOBabel-0.1.1-cp37-cp37m-manylinux1_x86_64.whl", "has_sig": false, "md5_digest": "b80966d0c22c41990eb652fe895bd1ef", "packagetype": "bdist_wheel", "python_version": "cp37", "requires_python": null, "size": 10191700, "upload_time": "2018-07-27T23:06:17", "url": "https://files.pythonhosted.org/packages/7c/b1/e07d0360e519ed38ca5581a4250a412ad890ad2cecb1749ecd8eef333245/pyOBabel-0.1.1-cp37-cp37m-manylinux1_x86_64.whl" }, { "comment_text": "", "digests": { "md5": "d0c3a08333253e599ef4348a0b13e1b6", "sha256": "846f91d54df0f9de37400bc1a2e9588f5270dbab244bd3501ae99b2d67b6ad80" }, "downloads": -1, "filename": "pyOBabel-0.1.1.tar.gz", "has_sig": false, "md5_digest": "d0c3a08333253e599ef4348a0b13e1b6", "packagetype": "sdist", "python_version": "source", "requires_python": null, "size": 21898, "upload_time": "2018-07-27T15:24:52", "url": "https://files.pythonhosted.org/packages/6a/4b/ba59f0ce82b716e540782857f7b8dc3c005a7aa1c90c527448249ac6f819/pyOBabel-0.1.1.tar.gz" } ] }