{ "info": { "author": "Lukas Heumos", "author_email": "lukas.heumos@posteo.net", "bugtrack_url": null, "classifiers": [ "Development Status :: 2 - Pre-Alpha", "Intended Audience :: Developers", "License :: OSI Approved :: GNU General Public License v3 (GPLv3)", "Natural Language :: English", "Programming Language :: Python :: 3", "Programming Language :: Python :: 3.6", "Programming Language :: Python :: 3.7" ], "description": "======\npromoe\n======\n\n\n.. image:: https://img.shields.io/pypi/v/promoe.svg\n :target: https://pypi.python.org/pypi/promoe\n\n.. image:: https://img.shields.io/travis/zethson/promoe.svg\n :target: https://travis-ci.org/zethson/promoe\n\n.. image:: https://readthedocs.org/projects/promoe/badge/?version=latest\n :target: https://promoe.readthedocs.io/en/latest/?badge=latest\n :alt: Documentation Status\n\n.. image:: https://pyup.io/repos/github/zethson/promoe/shield.svg\n :target: https://pyup.io/repos/github/zethson/promoe/\n :alt: Updates\n\n\nProtonize selected atoms with the use of MOE and Pymol.\n\n\n* Free software: GNU General Public License v3\n* Documentation: https://promoe.readthedocs.io.\n\nOverview\n--------\n\n.. image:: images/overview.png\n :alt: overview of promoe\n\nFeatures\n--------\n\n* Protonize the binding site of a pdb id automatically\n* Remove water atoms that are unable to interact with the ligand after protonization\n* Extract charges for residues\n* Extract all ligand IDs\n* Extract all alternative locations\n\n\n=======\nHistory\n=======\n\n0.1.0 (2019-09-30)\n------------------\n\n* First release on PyPI.\n\n\n", "description_content_type": "", "docs_url": null, "download_url": "", "downloads": { "last_day": -1, "last_month": -1, "last_week": -1 }, "home_page": "https://github.com/zethson/promoe", "keywords": "promoe", "license": "GNU General Public License v3", "maintainer": "", "maintainer_email": "", "name": "promoe", "package_url": "https://pypi.org/project/promoe/", "platform": "", "project_url": "https://pypi.org/project/promoe/", "project_urls": { "Homepage": "https://github.com/zethson/promoe" }, "release_url": "https://pypi.org/project/promoe/0.1.0/", "requires_dist": [ "click (==7.0)", "pyyaml (==5.1.2)", "tqdm (==4.36.1)", "biopython (==1.74)" ], "requires_python": "!=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*, !=3.4.*", "summary": "Protonize a selection of atoms of protein binding sites.", "version": "0.1.0" }, "last_serial": 5949576, "releases": { "0.1.0": [ { "comment_text": "", "digests": { "md5": "4487c8cdbd83fe488c693a8940c91411", "sha256": "76d9dac2cdc6bbe86f3106a8757f1fac6c5d8279732874a86338fec5ca40d15a" }, "downloads": -1, "filename": "promoe-0.1.0-py2.py3-none-any.whl", "has_sig": false, "md5_digest": "4487c8cdbd83fe488c693a8940c91411", "packagetype": "bdist_wheel", "python_version": "py2.py3", "requires_python": "!=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*, !=3.4.*", "size": 16811, "upload_time": "2019-10-09T12:47:11", "url": "https://files.pythonhosted.org/packages/d2/d7/fe51c15d61b5645fbc3d4453f2c1584d103b2a93a5ea94fcd9357840622e/promoe-0.1.0-py2.py3-none-any.whl" }, { "comment_text": "", "digests": { "md5": "3e738ec566e4f93e3e80910be870a6a7", "sha256": "c63b3d50074443395db5f74d9877fa33c2c13eb542274ea721d5ac7d68aae6ce" }, "downloads": -1, "filename": "promoe-0.1.0.tar.gz", "has_sig": false, "md5_digest": "3e738ec566e4f93e3e80910be870a6a7", "packagetype": "sdist", "python_version": "source", "requires_python": "!=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*, !=3.4.*", "size": 17187, "upload_time": "2019-10-09T12:47:14", "url": "https://files.pythonhosted.org/packages/34/b9/9a81d52a875e58c630daf269ed9db5bb55f16ea0eeadb70a2a47d7cbfd65/promoe-0.1.0.tar.gz" } ] }, "urls": [ { "comment_text": "", "digests": { "md5": "4487c8cdbd83fe488c693a8940c91411", "sha256": "76d9dac2cdc6bbe86f3106a8757f1fac6c5d8279732874a86338fec5ca40d15a" }, "downloads": -1, "filename": "promoe-0.1.0-py2.py3-none-any.whl", "has_sig": false, "md5_digest": "4487c8cdbd83fe488c693a8940c91411", "packagetype": "bdist_wheel", "python_version": "py2.py3", "requires_python": "!=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*, !=3.4.*", "size": 16811, "upload_time": "2019-10-09T12:47:11", "url": "https://files.pythonhosted.org/packages/d2/d7/fe51c15d61b5645fbc3d4453f2c1584d103b2a93a5ea94fcd9357840622e/promoe-0.1.0-py2.py3-none-any.whl" }, { "comment_text": "", "digests": { "md5": "3e738ec566e4f93e3e80910be870a6a7", "sha256": "c63b3d50074443395db5f74d9877fa33c2c13eb542274ea721d5ac7d68aae6ce" }, "downloads": -1, "filename": "promoe-0.1.0.tar.gz", "has_sig": false, "md5_digest": "3e738ec566e4f93e3e80910be870a6a7", "packagetype": "sdist", "python_version": "source", "requires_python": "!=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*, !=3.4.*", "size": 17187, "upload_time": "2019-10-09T12:47:14", "url": "https://files.pythonhosted.org/packages/34/b9/9a81d52a875e58c630daf269ed9db5bb55f16ea0eeadb70a2a47d7cbfd65/promoe-0.1.0.tar.gz" } ] }