2021.11

• Added right-handed nucleic acids for DNA
• Improved handling of different unit cells in MTZ file
• Avoid division by zero when rotating 0°
• Added option to ignore secondary strucure annotations when reading
  models through the DataManager
• Initial support for restraints based on quantum mechanics
• Improved consistency of binning by d_star_sq

2021.10

• Initial migration of MolProbity functionality (probe and reduce) to mmtbx
• Initial tool for likelihood-based map preparation for docking
• Improvements to ADP refinement for real-space

2021.9

• Improved structure factor calculation at ultra-low resolution
• Improved processing of prediced models
• Added diffBragg to simtbx for modeling pixels in stills to improve structure factors
• Added suitename to mmtbx for classifying RNA

2021.8

• Added tools for processing predicted models based on the error estimate
• Updated list of modified amino and nucleic acids
• Better handling of sequence files with empty sequences

2021.7

• Fix pickling error with anomalous_probability_plot
• Fix bug in reading data CIF file with paired data and sigma arrays of
  different sizes
• Added functions for retrieving H-bond types and Van der Waals radii to
  the model manager class
• Sequence validation will only use protein or nucleic acid residues for
  alignment

2021.6

• More improvements to bulk solvent masking for multiple regions
• Updates to ensemble refinement
• Enable conversion of some numpy types into flex types instead of
  requiring that the types match (e.g. int to float is now supported)

2021.5

• Improved bulk solvent masking with support for multiple regions

2021.4

• Improved parsing of reciprocal space data in CIF
• CCTBXParser can handle intermixed arguments for Python >= 3.7
• Consolidate management of conda depenencies with conda-devenv

2021.3

• Initial support for native compilation on Apple Silicon

• Real-space refinement of occupancies and isotropic ADP

• Improvements in map_model_manager

  • Split up map and model by NCS groups
  • Create new map_model_manager with resampled maps

2021.2

• Improved remediator code for converting PDB version 2 format to version 3
• Add compilation support for Boost 1.72 and 1.74