2023.4

• Prevent potenially large memory usage when trying to read reflection data
• CCTBXParser fix to properly re-raise an error when parsing PHIL
• DataManager fix for handling datatypes with parent classes
• Improved water picking
• Improved atom selections to handle more than 10k atoms

2023.3

• Bug fixes for RNA validation
• Improved handling of B and pLDDT values in mmtbx.process_predicted_model
• Bug fixes for validating C-beta deviations for D-amino acids
• Bug fixes and improvements to cctbx.HKLviewer

2023.2

• Improved modeling of histidine protonation states
• Improved tool for merging models
• Added resolution estimation for map docking (prepare_map_for_docking)
• Bug fixes and improvements to cctbx.HKLviewer

2023.1

• Enable rounding of occupancies so that the sum is equal to 1
• New tool to validate torsions
• Bug fixes and improvements to cctbx.HKLviewer

2022.12

• New code for fitting histidine
• DataManager can map scattering table types to data types

2022.11

• Improved occupancy handling of multiple conformations so that the sum does not exceed 1
• Improvements to reduce2 and probe2 tools for MolProbity

2022.10

• Added array selection via data labels to CCTBXParser

  • Match partial labels to full labels in data file
  • Combine multiple label selections via the command line

• Allow mosaic buil solvent model to have initial values

• Fix bug where atoms may be missing in a super-sphere

• Bug fixes and improvements to cctbx.HKLviewer

• Switch to using libsvm-official for Python interface from libsvm

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