{ "info": { "author": "Charlie Laughton", "author_email": "charles.laughton@nottingham.ac.uk", "bugtrack_url": null, "classifiers": [ "Development Status :: 3 - Alpha", "License :: OSI Approved :: BSD License", "Programming Language :: Python :: 3" ], "description": "# pinda\n\nPip-INstallable Dockerized Applications\n\n*pinda* is designed to deliver dockerized versions of software packages that have a user interface that is as identical\nas possible to what would be available if the package was installed in the conventional way.\n\nFor example, to install Gromacs version 2019:\n```\n% pinda install gromacs 2019\n```\nOnce the installation is complete, you will find the 'gmx' command in your path.\n\n## Installation:\n\nEasiest via pip:\n```\n% pip install pinda\n```\n\n## Usage:\n\nTo see a list of packages available via *pinda*:\n```\n% pinda list\n ambertools 16 AmberTools version 16\n ambertools 18 AmberTools version 18\n* gromacs 2019 Gromacs version 2019\n gromacs 2019-cuda Gromacs version 2019 with CUDA support\n* obabel 2.4.1 Open Babel version 2.4.1\n vina 1.1.2 AutoDock Vina and selected AutoDock Tools\n%\n```\nPackages that you have already installed are asterisked.\n\nTo install a package:\n```\n% pinda install ambertools 18\n%\n```\n\nTo uninstall a package:\n```\n% pinda uninstall obabel 2.4.1\n%\n```\n\nFor detailed information on a package:\n```\n% pinda info ambertools 18\n\nAmberTools version 18\n\nThis pinda distribution provides the following commands:\n\n \"sander\" : the Amber/Ambertools \"sander\" command\n \"amber-shell\" : drops you into a bash shell from which all other\n AmberTools commands are accessible (e.g. tleap).\n\nFor full license and usage information, please visit http://ambermd.org\n\n%\n```\n## Limitations:\n\nYou need to have [Docker](http://docker.com) installed on your machine. 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