{ "info": { "author": "Gourab Kanti Das", "author_email": "gourabkanti.das@visva-bharati.ac.in", "bugtrack_url": null, "classifiers": [ "License :: OSI Approved :: MIT License", "Operating System :: OS Independent", "Programming Language :: Python :: 3.7" ], "description": "## XYZ to GAMESS file converter\nThis is a simple package You can use it by calling\n\n> from gmsfile import gms\n\n> mol=gms(\"mol.xyz\")\n\n> mol.runtyp(\"opt\")\n\n> mol.writefile(\"mol.inp\")\n\n\nThis will convert your xyz file to a gamess input file that you can run\nin GAMESS for optimization of a molecule.\n\n\n", "description_content_type": "text/markdown", "docs_url": null, "download_url": "", "downloads": { "last_day": -1, "last_month": -1, "last_week": -1 }, "home_page": "https://github.com/amardrylab/gmsfile3", "keywords": "", "license": "", "maintainer": "", "maintainer_email": "", "name": "gmsfile", "package_url": "https://pypi.org/project/gmsfile/", "platform": "", "project_url": 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