{ "info": { "author": "Kohei Amano", "author_email": "amanok2167@gmail.com", "bugtrack_url": null, "classifiers": [ "Development Status :: 5 - Production/Stable", "License :: OSI Approved :: MIT License", "Operating System :: MacOS :: MacOS X", "Operating System :: Microsoft :: Windows :: Windows 10", "Operating System :: POSIX :: Linux", "Programming Language :: Python :: 3.6", "Topic :: Scientific/Engineering :: Bio-Informatics", "Topic :: Scientific/Engineering :: Chemistry", "Topic :: Software Development :: Libraries :: Python Modules" ], "description": "The Metabolic Disassembler\n==========================\n\nThe Metabolic Disassembler is a Python package to automatically predict\na combination of biosynthetic units in a natural product. This software\nwould help to reveal the starting materials of the target natural\nproduct.\n\nBasic Usage\n-----------\n\nA usage example by Jupyter Notebook can be seen\n`here `__.\n\nCommand Line Usage\n------------------\n\n.. code:: bash\n\n % metadisassembler -h\n usage: metadisassembler [-h] [-t TIME] [--hide] [-c] query\n\n positional arguments:\n query MDL_Molfile, SMILES, InChI, KEGG_COMPOUND_ID,\n KNApSAcK_COMPOUND_ID\n\n optional arguments:\n -h, --help show this help message and exit\n -t TIME, --time TIME set a time limit [s] [default: 300]\n --hide hide stereochemistry [default: False]\n -c, --color output color allocation information [default: False]\n\nRequirements\n------------\n\n- Python (3.6)\n\n - `RDKit `__ (version 2018.09.1.0)\n - `NetworkX `__\n (version 2.2)\n - `CairoSVG `__ (version 2.2.1)\n - `Pillow (PIL) `__\n - `Pandas `__\n - `Matplotlib `__\n\nInstallation\n------------\n\nInstall The Metabolic Disassembler with ``pip``.\n\n.. code:: bash\n\n $ pip 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