CLI ReferenceΒΆ

We refer to the command-line-tools collectively as the command-line-interface, or CLI. Their options go well beyond those shown in the Basic Usage, as we saw in the Highlights. Use these pages (menu to the left) or the mdc_command.py -h syntax to get help. For an inline overview of all options and ready-to-use examples, use:

>>> mdc_examples.py
usage: mdc_examples.py [-h] [-x] [--short_options] clt

Wrapper script to showcase and optionally run examples of the
command-line-tools that ship with mdciao.

Available command line tools are:
 * mdc_GPCR_overview.py
 * mdc_CGN_overview.py
 * mdc_KLIFS_overview.py
 * mdc_compare.py
 * mdc_fragments.py
 * mdc_interface.py
 * mdc_neighborhoods.py
 * mdc_notebooks.py
 * mdc_pdb.py
 * mdc_residues.py
 * mdc_sites.py

You can type for example:
 > mdc_interface.py  -h
 to view the command's documentation or
 > mdc_examples.py interf
 to show and/or run an example of that command