This is a collection of tools, code and examples used for converting user's modelling projects into [ModelCIF format](https://mmcif.wwpdb.org/dictionaries/mmcif_ma.dic/Index/) for upload to [ModelArchive](https://www.modelarchive.org)(MA). The whole repository has grown over time from bulk uploads to MA, we assisted users with. Do not expect everything to work out of the box, old conversion projects may be outdated by now.
This is a collection of tools, code and examples used for converting user's modelling projects into [ModelCIF format](https://mmcif.wwpdb.org/dictionaries/mmcif_ma.dic/Index/) for upload to [ModelArchive](https://www.modelarchive.org)(MA). The whole repository has grown over time from bulk uploads to MA, we assisted users with. Do not expect everything to work out of the box, old conversion projects may be outdated by now.
## ModelCIF resources
The official documentation of [ModelCIF](https://mmcif.wwpdb.org/dictionaries/mmcif_ma.dic/Index/) and [PDBx/mmCIF](https://mmcif.wwpdb.org/dictionaries/mmcif_pdbx_v50.dic/Index/) can be found here: https://mmcif.wwpdb.org
ModelCIF dictionary files can be found in the official repository: https://github.com/ihmwg/ModelCIF
## Directories
## Directories
A short overview of the directories in this repository and what they do.
A short overview of the directories in this repository and what they do.
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@@ -11,5 +19,5 @@ A short overview of the directories in this repository and what they do.
|projects/ |Collection of model conversions done for various user projects. |
|projects/ |Collection of model conversions done for various user projects. |
|validation/|A tool to check the formatting of ModelCIF files. |
|validation/|A tool to check the formatting of ModelCIF files. |
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.
The easiest way to run validation is from Docker container. Running it out of Docker requires an installation of [OpenStructure](https://openstructure.org).
