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        "author": "Stephane De Cesco",
        "author_email": "stephane.decesco@ndm.ox.ac.uk",
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            "Development Status :: 4 - Beta",
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            "License :: OSI Approved :: GNU General Public License v3 or later (GPLv3+)",
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        "description": "TargetDB\n=========\n\nTargetDB is a tool to quickly querry multiple publicly available databases and provide an integrated view of the information available about potential targets. A quick binding pocket search is also performed (using `fpocket`).\n\nInstallation\n------------\n### Python package installation\n#### Pip installation\n\n```\npip install targetDB\n```\n\n##### Python compatibility\n\npython version **>= 3.4**\n\nPreferred python distribution : [Anaconda 3](https://www.anaconda.com/download/)\n\n\n#### Database files installation\n\nThis package relies on the use of sqlite database to properly function.\n\n##### Required database\n\n+ targetDB\n\nYou can download a copy of the database [HERE](https://github.com/sdecesco/targetDB/releases/download/v1.1.6/TargetDB_20_02_19.db.zip)\n\n>This database contains all of the human genome genes that have a uniprot ID\n\n#### System compatibility\n\n+ Linux\n+ Windows\n+ Mac (not tested)\n\n\nUsage\n-----\ntargetDB package provides a user interface to use the tool: `targetDB`\n\n### `targetDB`\n\nWhen using `targetDB` for the first time you will be asked to enter information about:\n+ targetDB sqlite database file\n+ path to save list output files \n+ path to save detailed target output files\n+ email address (used for pubmed searches if none provided no pubmed search will be run)\n\nThose informations will be stored in ~/.targetdb/config.ini \n\n![Configuration panel](targetDB/resources/configuration.png)\n\nOnce created it will automatically start the main user interface (as seen below)\n\n![Main interface](targetDB/resources/targetdb_gui.png)\n\nInstructions to create a targetDB database from scratch\n---\n\n#### System compatibility\n+ Linux\n\n##### Database creation\n\nThe list of required databases is :\n+ ChEMBL v24\n\nChEMBL sqlite database can be directly downloaded [HERE](https://www.ebi.ac.uk/chembl/downloads)\n\n>This mode will generate a targetDB database that can then be used in report mode\n\n#### Other dependencies for the database creation mode\n\n##### blast\nThis mode use blast locally to perform similarity search and sequence alignments \n\ninformation to download and install blast locally can be found [HERE](https://blast.ncbi.nlm.nih.gov/Blast.cgi?CMD=Web&PAGE_TYPE=BlastDocs&DOC_TYPE=Download)\n\n##### fpocket\nIn order to perform binding pocket searches and assess their druggability the program fpocket is used \n\n>Vincent Le Guilloux, Peter Schmidtke and Pierre Tuffery, \"Fpocket: An open source platform for ligand pocket detection\", BMC Bioinformatics, 2009, 10:168\n\n>Peter Schmidtke, Xavier Barril \"Understanding and Predicting Druggability. A High-Throughput Method for Detection of Drug Binding Sites\", J. Med. Chem., 2010, 53 (15), pp 5858\u00e2\u20ac\u201c5867\n\ninstructions to download and install fpocket can be found [HERE](https://github.com/Discngine/fpocket)\n\nCurrent version of targetDB works with fpocket3\n\n**targetDB will not be able to perform pocket search on windows as fpocket is not available on windows platform**",
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