2024.11

• Added generalized interface for LBFGS minimizer
• Improved adding of hydrogens near links in Reduce2

2024.10

• Added support for Python 3.13
• Improved tools for alternate conformations
• Added option to download maps from the EMDB to iotbx.fetch_pdb
• Fix random selection of atoms to consistently select the same number of atoms

2024.9

• Added general minimizer class for LBFGS and LBFGS-B minimizers
• Enabled linking of modified amino acids for cyclic peptides
• Added functions for parsing .geo files

2024.8

• Speed improvements to pdb_interpretation
• DataManager: add sanity check for specified resolution limits

2024.7

• Speed improvements in NCS search and process non-bonded links
• DataManager: add scoring layer to filter arrays for fmodel

2024.6

• Update pdbtools to use target_output_format
• Update known residue codes
• Update CCTBXParser to show diff of DataManager scope with --diff-params

2024.5

• Added water picking with alternate conformations
• Removed more unused or not maintained tools in iotbx and mmtbx
• Added check for NaN in ccp4/mrc maps

2024.4

• Added mmtbx.holton_geometry_validation tool
• Removed unused or not maintained tools in mmtbx
• Fixed bug in PDB remediator for RNA
• Added ability to add water with alternative conformations

2024.3

• Fixed loggraph output in xtriage
• Added initial clashscore2 that uses reduce2 and probe2
• Clean up MolProbity and clashscore code
• Clean up Polder maps code
• Added option to use pyopengl in gltbx if available

2024.2

• Improved handling of writing models in mmCIF or PDB formats
• Speedups to reduce2 and probe2