{ "info": { "author": "Sky Zhang", "author_email": "sky.atomse@gmail.com", "bugtrack_url": null, "classifiers": [ "Development Status :: 4 - Beta", "Intended Audience :: Science/Research", "License :: OSI Approved :: MIT License", "Operating System :: MacOS", "Operating System :: POSIX", "Programming Language :: Python", "Programming Language :: Python :: 3", "Programming Language :: Python :: 3.5", "Programming Language :: Python :: 3.6", "Programming Language :: Python :: 3.7", "Programming Language :: Python :: Implementation" ], "description": "# Chemio Chemical files Input/Output\n\n\nChemical file Input/Output\n\nChemio: convert from one to another\n\n\n\n[![Build Status](https://travis-ci.org/atomse/chemio.svg?branch=master)](https://travis-ci.org/atomse/chemio)\n[![PyPI](https://img.shields.io/pypi/v/chemio.svg)](https://pypi.org/project/chemio)\n\n\n## read/write\n\n```python\nimport chemio\nchemio.read(inputobj, index)\nchemio.write(filename, inputobj, format)\nchemio.convert(inputobj, input_index, input_format, output_filename, output_index, output_format)\nchemio.preview(arrays, format)\n```\n\n\n## cli\n\n```bash\n# chemio -h\nusage: chemio [-h] [--version] [-T] {help,info,convert} ...\n\nChem IO command line tool.\n\noptional arguments:\n -h, --help show this help message and exit\n --version show program's version number and exit\n -T, --traceback\n\nSub-commands:\n {help,info,convert}\n help Help for sub-command.\n info Print information about files or system.\n convert Convert between file formats.\n```\n\n\n\n```bash\nusage: chemio info [-h] [-v] [-k KEY] [filename [filename ...]]\n\nPrint information about files or system.\n\nWith filename(s), the file format will be determined for each file.\n\npositional arguments:\n filename Name of file to determine format for.\n\noptional arguments:\n -h, --help show this help message and exit\n -v, --verbose Show more information about files.\n -k KEY, --key KEY key to show\n\n```\n\n\n\n```bash\nusage: chemio convert [-h] [-v] [-i FORMAT] [-o FORMAT] [-f] [-n NUMBER] [-s]\n input-file [input-file ...] output-file\n\nConvert between file formats.\n\nUse \"-\" for stdin/stdout. See \"chemio info --formats\" for known formats.\n\npositional arguments:\n input-file\n output-file\n\noptional arguments:\n -h, --help show this help message and exit\n -v, --verbose Print names of converted files\n -i FORMAT, --input-format FORMAT\n Specify input FORMAT\n -o FORMAT, --output-format FORMAT\n Specify output FORMAT\n -f, --force Overwrite an existing file\n -n NUMBER, --image-number NUMBER\n Pick images from trajectory. NUMBER can be a single\n number (use a negative number to count from the back)\n or a range: start:stop:step, where the \":step\" part\n can be left out - default values are 0:nimages:1.\n -s, --split-output Write output frames to individual files. 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