{ "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 - Chemical Properties\n\nDisplays chemical properties for selected complex using rdkit.\n\n### Installation\n\n```sh\n$ pip install nanome-chemical-properties\n```\n\nThis plugin requires `rdkit` to be installed and in the `PATH` variable.\n\nInstallation instructions for `rdkit` can be found [here](http://www.rdkit.org/docs/Install.html)\n\n### Usage\n\nTo start the plugin:\n\n```sh\n$ nanome-chemical-properties -a plugin_server_address\n```\n\n#### Basic properties\n\nIn Nanome:\n\n- Activate Plugin\n- Select Complex\n- Select Properties\n- View Results\n\n#### Snapshots\n\n`nanome-chemical-properties` now has a \"snapshots\" feature where you can take a snapshot of a complex to compare properties against other snapshots. Snapshots only persist while the plugin is active, so deactivating the plugin will lose the current snapshots.\n\nTo create a snapshot, select a complex and press the \"snapshot\" button.\n\nTo view a table comparison of your snapshots, press the \"view snapshots\" button.\n\nIn the snapshots view:\n\n- Pressing \"select properties\" will allow you to toggle which columns you want to show.\n- Pressing a column header will switch through the sorting options for that column. Pressing it once will sort ascending, a second time will sort descending, and a third time will remove sorting on that column.\n- Pressing on a snapshot ID will bring up a side panel containing a 2D rendering of the snapshot, as well as the snapshot timestamp and options to rename, load, or delete the snapshot.\n- Pressing \"export csv\" will save the snapshot IDs, SMILES string, and properties to ~\\Documents\\nanome\\snaphots on the computer running Nanome.\n\n### License\n\nMIT\n\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-chemical-properties", "keywords": "virtual-reality,chemistry,python,api,plugin", "license": "MIT", "maintainer": "", "maintainer_email": "", "name": "nanome-chemical-properties", "package_url": "https://pypi.org/project/nanome-chemical-properties/", "platform": "any", "project_url": 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