# ModelCIF validation tool

This is a tool to check that the formatting of ModelCIF files complies with the ModelCIF format declaration (aka "dictionary"). Upon successful validation, a ModelCIF file can be extended with the dictionary version the file was compared to (option `--extend-validated-file` ToDo: add anchor for option). For more basic mmCIF validation, the dictionary of the underlying PDBx/mmCIF format is also available.

The easiest way to run validation is from Docker container. Running it out of Docker requires an installation of [OpenStructure](https://openstructure.org).

[[_TOC_]]

## How to run the validation tool

This is just a description of the validation tool itself. When running it from inside a container, the command needs to be prefixed with the instructions to start the container. Find information for running the validation container in "[How to run the container](how-to-run-the-container)".

Upon completion, if there hasn't been any error running the command, the validation tool returns a concise report in JSON format. That output is meant to be input to a website or any kind of nicely formatted report. Output can also be stored as a file. If the tested ModelCIF file is fully compliant with the ModelCIF format, the JSON output has

- `status` "completed"
- no messages in the `diagnosis` list
- `version` of the dictionaries the file was tested against

Format violations will be listed in `diagnosis`.

- basic usage
- explain output
- add version of dict validated against
- remaining options

## How to run the container

- how to pull the container

- how to build the container

# Files in this directory