- The new PDB format (PDBx/mmCIF) is now handled. Templates can be mmCIF
files, and model.read() and model.write() also support mmCIF. See also
automodel.set_output_model_format() to write out models in mmCIF format.
- automodel-generated PDB or mmCIF files now contain extra header
information, including the names of the sequence and template(s) and the
values of any assessment scores.
- Add Python 3.4 support.
- Add support for 64-bit Windows.
- density.read() now uses the origin in the MRC/CCP4 file if it is not
specified.
- Bundled version of HDF5 updated to 1.8.11.
- Bugfix: Don't generate invalid format PDB files when biso <= -100.
- Bugfix: don't crash on reading an empty PSSM database.
- Bugfix: don't crash in model.to_iupac() if the residues to be
modified are missing sidechains or are not really amino acids (e.g.
BLK residues).
- Bugfix: fix corruption of nonbonded list if selection.energy()
is called from within an optimizer action.
- Bugfix: use 64-bit integers to track memory usage to avoid overflows in
the 'Dynamically allocated memory' printout when more than 2GB is allocated.
Automatic builds
2014-07-26
