{ "info": { "author": "Ryan H.B. Smith", "author_email": "ryan.smith@icahn.mssm.edu", "bugtrack_url": null, "classifiers": [ "License :: OSI Approved :: MIT License", "Programming Language :: Python :: 3.7" ], "description": "\nPyVOL: Protein Pocket Visualization, Segmentation, and Characterization\n=======================================================================\n\n![image](https://img.shields.io/pypi/v/bio_pyvol.svg) ![image](https://img.shields.io/pypi/l/bio_pyvol.svg)\n\nSee the [Full Project Documentation](https://schlessingerlab.github.io/pyvol/).\n![image](docs/source/_static/overview_image_v01.png)\n\n\nOverview\n========\n\nPyVOL is a python library packaged into a [PyMOL](https://pymol.org/2/)\nGUI for identifying protein binding pockets, partitioning them into\nsub-pockets, and calculating their volumes. PyVOL can be run as a PyMOL\nplugin through its GUI or the PyMOL prompt, as an imported python\nlibrary, or as a command-line program. Visualization of results is\nexclusively supported through PyMOL though exported surfaces are\ncompatible with standard 3D geometry visualization programs. The project\nis hosted on github by the Schlessinger Lab. Please access the\nrepository to view code or submit bugs. The package has been most\nextensively tested with PyMOL 2.3+ running Python 3.7. Support for all\npython versions 2.7+ is intended but not as thoroughly tested. Support\nfor PyMOL 1.7.4+ without the GUI is as yet incomplete. Unfortunately,\nPyVOL can not currently run on MacOS Catalina due to its restrictions on\nrunning 32-bit executables. The Mac-compatible MSMS executable is not\nyet available in a 64-bit form.\n\nQuick Installation into PyMOL 2.0+\n==================================\n\nPyVOL can be installed into any python environment, but installing\ndirectly into PyMOL 2.0+ is easiest. Download the\n[basic GUI installer](https://github.com/schlessingerlab/pyvol/blob/master/installers/pyvol-installer.zip);\nand then use the PyMOL plugin manager to install that file:\nPlugins --> Plugin Manager --> Install New Plugin --> Install from local file -->\nChoose file...\n\nThis installs the PyVOL GUI. Select\nPlugins --> PyVOL --> Settings --> Install PyVOL from PyPI to\nfetch PyVOL and any missing dependencies. Once PyVOL has been installed,\nthe location of MSMS must be added to the path. In the MSMS Settings\npanel, common locations for the executable can be searched. Once an\nexecutable has been identified and is displayed, Change MSMS Path can be\nclicked to make that executable visible to the back-end. The GUI should\nthen display that it can find MSMS. For academic users and non-academic\nusers with the Schrodinger incentive PyMOL distribution, installation is\nnow complete. 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