- Bundled version of HDF5 updated to 1.8.20.
- mmCIF models now contain metadata consistent with the draft MA mmCIF
extension, describing the modeling procedure, custom restraints,
templates used, and the alignment.
- Information on the Python script used is now output in the model headers.
- If multi-chain templates are used, information is output on each chain
in the model headers (previously only one entry was emitted, for the
entire template sequence).
- Bugfix: certain pathological inputs could cause surface area calculation
to segfault due to an internal overflow. This is now handled more cleanly.
- Bugfix: model.assess_ga341() now reports an error (rather than
segfaulting) if asked to assess a DNA or RNA chain.
- Bugfix: environ.dendrogram() no longer fails with an internal error
if given only a single sequence.