ihmwg / python-ihm

Python package for handling IHM mmCIF and BinaryCIF files
MIT License
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Allow manual specification of asym_id #8

Closed benmwebb closed 6 years ago

benmwebb commented 6 years ago

Currently all IDs are hidden away and assigned automatically. This includes asym_ids (chain IDs). However, it may be helpful to allow these to be manually specified, for example if people want to keep the chain IDs from a starting model. We just need to check for duplicate manual IDs, and that any automatically-assigned IDs do not clash with manually-assigned ones.