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gtauriello avatar gtauriello commented on August 12, 2024

This a question for the MMTF repository where the format itself is defined and should be posed there and not here: https://github.com/rcsb/mmtf/issues

What I can say is that MMTF doesn't try to capture all of the mmCIF or PDB formats but a "large subset of the data" in there. Now, the secondary structure information is handled in the secStructList field and chemical formulas are not mapped in MMTF at all. The recently added extra fields might be a solution for any additional data you would like to store.

Since I couldn't transfer the issue in github (beta feature seems not to work as expected), I would ask you to continue the conversation in the MMTF repository.

from mmtf-cpp.

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