| Docs: | https://cagey.readthedocs.io |
|---|
First and foremost cagey is a command line tool for creating and managing a cage
database. With cagey you will extract a a range of experimental and computational
data in a variety of formats and place it into a single file. You can then use this file
as input for your scripts which perform data analysis. You can install cagey with:
pip install cageyOnce installed you can use the command line tool to create a new database:
cagey new path/to/data path/to/cagey.dbThis will create a new database at path/to/cagey.db and populate it with data from
path/to/data. There are in fact a lot more things you can do with cagey, and
the best way to learn about them is to use it interactively, starting with:
cagey --helpUsage: cagey [OPTIONS] COMMAND [ARGS]... A cage database tool. Run cagey help intro for an introduction. ╭─ Options ───────────────────────────────────────────────────────────────────────────╮ │ --install-completion Install completion for the current shell. │ │ --show-completion Show completion for the current shell, to copy it or │ │ customize the installation. │ │ --help Show this message and exit. │ ╰─────────────────────────────────────────────────────────────────────────────────────╯ ╭─ Commands ──────────────────────────────────────────────────────────────────────────╮ │ help Get help on how to use cagey. │ │ insert Insert new data into the cagey database. │ │ ms Mass spectrum analysis. │ │ new Create a new database. │ │ nmr Extract NMR peaks. │ ╰─────────────────────────────────────────────────────────────────────────────────────╯
Once you've used cagey to create a database, you can use the cagey.queries module
to extract data from it in your Python scripts. This step is best understood by
reading our documentation, which you can find at https://cagey.readthedocs.io.