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rcsb / mmtf-cpp

The pure C++ implementation of the MMTF API, decoder and encoder.
MIT License
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Where in mmtf is HELIX, SHEET, FORMUL information that is available in the pdb files? #28

Closed yurivict closed 5 years ago

yurivict commented 5 years ago

It doesn't seem to exist in mmtf, only in pdb: http://www.wwpdb.org/documentation/file-format-content/format33/v3.3.html

gtauriello commented 5 years ago

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.