CCP4i2 Update History

Changes to CCP4i2 GUI are detailed below, as well as release details. The current version of CCP4i2 is v2.2.1

v2.2.1 (2025-01-20)

  • Updated ModelCraft control parameters

  • Refinement weighting text change

  • Fix missing Dummy DbApi entry for ARP/wARP

  • Disabling cryo-EM SPA refinement

v2.2.0 (2025-01-14)

  • New Servalcat refinement task

  • Fixes to Buster arguments

  • Fixed demo data path

v2.1.1 (2025-01-10)

  • Add log files, etc. to reports

  • Remove reference to ‘manual’ model building

  • Fix to report XML parsing

  • Fix to MTZ cell comparison

  • Fix running Lidia on Linux/Mac

v2.1.0 (2024-12-13)

v2.0.05 (CCP4 release 8.0.07)

  • Support added for FindMySequence (0.92).

  • New Density Modification task introduced.

  • Crank2 update (2.0.326)

  • Support download of Alphafold model files in model dialogue.

  • Cif support for Acedrg task.

  • Add link info to Refmac Reports.

  • Predicted models introduced for Arcimboldo task.

  • Major update for task documentation, missing elements added.

  • Other Bug fixes and improvements.

v2.0.04 (CCP4 release 8.0.04, 17.08.22)

  • Adjusted json file handling for Slice n’Dice.

v2.0.03 (CCP4 release 8.0.03, 05.08.22)

  • Crank2 update (2.0.317)

  • Slice n’Dice interface added.

  • Fixes for the Arcimboldo interface in 8.0

  • ASU Content. Mol. weight revision & fix.

  • New neutron diff. option added for refmac.

  • Update documentation theme to converge with cloud docs.

  • Fix for reported OpenVPN issue.

v2.0.02 (CCP4 release 8.0.002, 10.06.22)

  • New version of Crank-2 (2.0.314)

  • Other Bug fixes and improvements. More fixes for remote runs.

v2.0.01 (CCP4 release 8.0.001, 15.05.22)

  • Fixes for Process Predicted model and MrParse interfaces.

  • Improvements to DB error trapping.

  • Fix for remote runs.

v2.0.00 (CCP4 release 8.0.000, 26.04.22)

  • New model building pipeline, Modelcraft, released.

  • Improvements to Process Predicted model. Now uses cctbx, and handles the processing of all currently avaliable model types from Alphafold and RosettaFold.

  • Improved input data handling for the data reduction pipeline.

  • Complete conversion to Qt5 and Python 3.

v1.1.12 (CCP4 release 7.1.017, 11.11.21)

  • Update to MrBump/MG interface, includes AF support.

  • New model import interface for Alphafold/RosettaFold support.

  • Update to MrBump interface, improved model search options.

  • Tweak to shelxeMR settings, so it runs faster on the defaults.

  • Bug fixes, including fix for longstanding issue with lists not updating properly & a db fix for username mismatches.

  • Improvements to Refmac interface and report, including rigid body ref, occupancy ref and verdict implementation.

  • Improvements to aimless pipelines, particularily for multiple data-sets.

v1.1.11 (CCP4 release 7.1.016, 10.09.21)

  • Update to privateer interface and report for MKIV release.

  • Update to MrBump interface, added space group option and phmmer support. Initial options for Alphafold DB support included.

  • Phaser-EP report improvements (Buccaneer autobuild).

  • Improved aimless pipeline and report.

  • Sheetbend default parameters refined.

  • Bug fixes and stability improvements.

v1.1.10 (CCP4 release 7.1.014, 22.06.21)

  • Minor enhancements to PhaserEP, AceDRG and Data Reduction pipelines.

  • Bugfixes and cleanup of some print statements.

v1.1.09 (CCP4 release 7.1.012, 12.03.21)

  • Updated aimless pipeline.

  • MrBump Update.

  • Crank2 Release 2.0.253.

  • Bugfix for Phaser keys.

v1.1.08 (CCP4 release 7.1.011, 19.02.21)

  • Update to MRParse interface.

  • Improved anomalous map treatment in coot interface scripts.

  • Advanced developer options for Arcimboldo.

  • Other Bug fixes and improvements.

v1.1.07 (CCP4 release 7.1.009, 04.12.20)

  • Updates to the MrBump and MrBump/ccp4mg interfaces.

  • Switched to the new documentation system (offline and online).

  • AMPLE gui updated (helical ensembles were added).

  • Minor fix to rcsb weblink.

v1.1.06 (CCP4 release 7.1.008, 08.11.20)

  • Improvements to Sheetbend Wrapper.

  • Matthews calc added to ASU.

  • Bug fixes for Crank2 (v2.0.251)

  • New Youtube Channel.

  • Aimless pipeline updates.

  • Optimisation of default Acorn settings.

v1.1.05 (CCP4 release 7.1.005, 09.10.20)

  • Sheetbend included in molrep pipeline.

  • Fixes for new Mac release (BigSur).

  • Fixes for Crank2.

v1.1.04 (CCP4 release 7.1.004, 12.09.20)

  • Included sheetbend into pipelines.

  • Improvements to tutorial documents.

  • Fix Mosflm report.

  • Update to SIMBAD/AMPLE i2 interface.

v1.1.03 (CCP4 release 7.1.003, 11.08.20)

  • Updated ASU task.

  • Font fixes (Win).

  • Comprehensive improvements to i2run.

v1.1.02 (CCP4 release 7.1.002, 03.07.20)

  • Various updates and bug fixes.

  • Font & Icon fixes (HD comp).

v1.1.01 (CCP4 release 7.1.001, 02.06.20)

  • Various task and interface fixes.

  • Python 3 compatibility improved.

v1.1.00 (Released with 7.1.000)

  • Base release of CCP4i2 for Series 7.1 of CCP4.