rcsb / mmtf

The specification of the MMTF format for biological structures
http://mmtf.rcsb.org/
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Anisotropic b-factors, do we want them in mmtf? #14

Open josemduarte opened 8 years ago

josemduarte commented 8 years ago

They are missing in v0.2. They would be important for refinement software like phenix. A possibility is that they are treated as user data, but in my opinion they are important enough to deserve their own field.

The field would add a significant amount of information to the file (a 3x3 matrix of floats for each atom), we'd need to decide what's a good compression strategy for it.