{ "info": { "author": "Malte Lichtner", "author_email": "murdock@mlichtner.de", "bugtrack_url": null, "classifiers": [ "Development Status :: 3 - Alpha", "Intended Audience :: Science/Research", "License :: OSI Approved :: Apache Software License", "Programming Language :: Python :: 2.7", "Programming Language :: Python :: 3.2", "Programming Language :: Python :: 3.3", "Programming Language :: Python :: 3.4", "Programming Language :: Python :: 3.6", "Topic :: Scientific/Engineering :: Bio-Informatics" ], "description": "Murdock: A Molecular Docking Framework\n======================================\n\nMurdock is a Python package for the development and testing of automated\n`molecular docking`_ solutions. It has been developed as a convenient and\nefficient platform to implement new search algorithms, scoring functions,\nmulti-step docking workflows and other features on a reliable platform, test\nthem quickly and use the rich output to analyse advantages, disadvantages and\nissues of a new method. In addition, Murdock comes with a set of end-user\nscripts and presets, so that it can be used by anyone solemly to obtain\nscientific data, for which only a basic knowledge of command-line tools is\nrequired.\n\n.. _molecular docking: http://en.wikipedia.org/wiki/Docking_(molecular)\n\n.. warning::\n\n The current Murdock version and (especially) its documentation are at an\n alpha stage.\n\nPlease refer to the `documentation`_ to get started. 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