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"Intended Audience :: Science/Research",
"License :: OSI Approved :: MIT License",
"Programming Language :: Python",
"Programming Language :: Python :: 3.5",
"Programming Language :: Python :: 3.6",
"Topic :: Scientific/Engineering :: Bio-Informatics",
"Topic :: Scientific/Engineering :: Chemistry"
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"description": "\nChorus\n===================================================\n\n**Chorus** is a simple chemical structure modeling toolkit.\n\n\n\nInstallation\n-------------\n\n### PyPI\n\n```\npip3 install chorus\n```\n\n\n### Anaconda\n\nDistributing conda package is work in progress.\n\n```\nconda upgrade -n root conda\nconda install -n root conda-build\n\nconda skeleton pypi chorus\nconda build chorus\nconda install --use-local chorus\n```\n\n\nFeatures\n----------\n\n- Structure image export (PNG)\n ![](\"img/demo.png\")
\n\n- Structure image export (SVG)\n ![](\"img/demo.svg\")
\n\n- Import from/export to .sdf, .mol\n- Import from/export to RDKit molecule\n- Molecular property calculation (MW, Chemical formula)\n- Descriptors\n\n - H-bond donor/acceptor\n - Wildman-Crippen logP\n - Aromaticity\n\n- Molecule graph topology (ring, scaffold, connectivity)\n- Sub(super)structure search\n- MCS with diameter restriction (MCS-DR) and graph-based local similarity (GLS)\n\n\n\nFeatures (WIP)\n-------------------------------\n\n- Functional group descriptors\n- Markush structue\n- SMILES and 2D coordinate generation\n\n\n\nFeatures (will never be implemented)\n-------------------------------------\n\n- Python 2 compatibility\n- Fingerprint similarity\n- And many of the features already available in RDKit\n\n\n\nAPI Documentation\n------------------------\n\nhttps://mojaie.github.io/chorus\n\n\n\nLicense\n-------------\n\n[MIT license](http://opensource.org/licenses/MIT)\n\nSee [chorus/resources/README.md](https://github.com/mojaie/chorus/tree/master/chorus/resources) for license details of sample dataset resources.\n\n\n\nCopyright\n--------------\n\n(C) 2014-2017 Seiji Matsuoka\n\n\n",
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