2022.9

• Improvements to cctbx.HKLviewer for viewing output from xtriage or xtricorder
• Improve stability of prepare_map_for_docking
• DataManager models can now have multiple types (e.g. x-ray, neutron, etc.)
• Fix any_reflection_file_reader when reading "hklf+ins/res" (#787)
• Fix binary and source installers when /usr/bin/python is not available (#788)

2022.8

• Update to handle new PAE format from AlphaFold
• CCTBXParser can parse DataManager PHIL parameters and provide more information about ambiguous parameters
• Initial support for density dependent restraints
• Bug fixes and updates for cctbx.HKLviewer

2022.7

• Clean up multiple mmtbx tests
• Updated to RCSB API v2 for accessing data

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