2022.6

• Added --dry-run flag to CCTBXParser to validate inputs
• Bug fixes for cctbx.HKLviewer
• Updates to reduce2 and probe2
• Updates to restraints based on quantum mechanics

2022.5

• Added function to return fmodel object in DataManager
• Added options for cubic box and soft masking to resolve_cryo_em
• Updates to tool for preparing maps for docking
• More improvements to cctbx.HKLviewer

2022.4

• Added option to keep unmerged data in DataManager
• Bug fixes for cctbx.HKLviewer
• Improvements to finding water in maps

2022.3

• Added mmtbx.process_predicted_model command
• Updates and bug fixes to cctbx.HKLviewer
• Added methods for improved handling of heavy hydrogens in model

2022.2

• Added --quiet flag to CCTBXParser to suppress output
• Updates to restraints based on quantum mechanics
• Updates and bug fixes to cctbx.HKLviewer

2022.1

• Added option to use legacy bulk solvent mask
• Added option to any_reflection_file_reader to control averaging of anomalous data columns in MTZ files
• Fix SHELXF formatting where integer values may be interpreted as decimal

2021.12

• Initial support for Python 3.10
• Added support for outputting multi-model mmCIF files
• Adjusted mask gridding for bulk solvent

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