ihmwg / python-ihm

Python package for handling IHM mmCIF and BinaryCIF files
MIT License
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Allow adding extra user-defined categories #30

Closed benmwebb closed 5 years ago

benmwebb commented 5 years ago

I and @iecheverria want to be able to add extra categories to mmCIF or BinaryCIF files with our own data. This will allow us to

To allow this, the ihm.dumper and ihm.reader modules should expose the API of the various Dumper and Handler classes and their support classes, so that users can write new classes for their own categories, and the read and write functions should allow for such classes to be passed in.

Of course, at deposition time it is straightforward to remove program-specific categories from the file.