{ "info": { "author": "Nanome", "author_email": "hello@nanome.ai", "bugtrack_url": null, "classifiers": [ "Development Status :: 3 - Alpha", "Intended Audience :: Science/Research", "License :: OSI Approved :: MIT License", "Programming Language :: Python :: 2.7", "Programming Language :: Python :: 3.5", "Programming Language :: Python :: 3.6", "Programming Language :: Python :: 3.7", "Topic :: Scientific/Engineering :: Chemistry" ], "description": "# Nanome - Docking\n\nPlugin to dock ligands to a receptor and display the result in Nanome\n\n### Installation\n\n```sh\n$ pip install nanome-docking\n```\n\n### Usage\n\nTo start the plugin:\n\n```sh\n$ nanome-docking smina -a plugin_server_address\n```\n\nRuns only on Linux\n\nOR\n\n```sh\n$ nanome-docking autodock4 -a plugin_server_address\n```\n\nRuns on Windows, and needs Autodock4 to be installed on the computer and in the PATH variable.\n\nIn Nanome:\n\n- Activate Plugin, Docking window will automatically open\n- Select a receptor\n- Click on \"Ligand\", and select ligands to dock\n- If using Smina, click on \"Site\", and select which molecule should be used to define the docking site\n- Choose exhaustiveness, number of results and size of the box to generate around the site molecule (Smina only)\n- Click on Run\n\n### License\n\nMIT\n\n", "description_content_type": "text/markdown", "docs_url": null, "download_url": "", "downloads": { "last_day": -1, "last_month": -1, "last_week": -1 }, "home_page": "https://github.com/nanome-ai/plugin-docking", "keywords": "virtual-reality,chemistry,python,api,plugin", "license": "MIT", "maintainer": "", "maintainer_email": "", "name": "nanome-docking", "package_url": "https://pypi.org/project/nanome-docking/", "platform": "any", "project_url": "https://pypi.org/project/nanome-docking/", "project_urls": { "Homepage": "https://github.com/nanome-ai/plugin-docking" }, "release_url": "https://pypi.org/project/nanome-docking/0.1.4/", "requires_dist": [ "nanome" ], 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