diff --git a/validation/README.md b/validation/README.md index 697e5bbe16c0f4e881be65b9a9099dd5b0b61c23..5123638e369b14df27847acaf0be10282ac5cfd5 100644 --- a/validation/README.md +++ b/validation/README.md @@ -1,20 +1,37 @@ # 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 ToDo: add option). For more basic mmCIF validation, the dictionary of the underlying PDBx/mmCIF format is also available. +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 tool +## How to run the validation tool -- how to run the container +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 (at the bottom) +# Files in this directory -<!-- LocalWords: PDBx +<!-- LocalWords: PDBx ModelCIF TOC JSON -->