Milestone 1.2

Completed New Features (see change log for more details)

• Atomic Structures
  • Measure angles
  • Add/delete bonds
• Microscopy data
  • Volume series marker display
  • Mark all surface blobs
  • New icosahedral virus cages
• User interface
  • Mouse drag specific model w/o selection
  • Meetings GUI
• FIle formats
  • Faster session save with maps and 4x smaller file size (lz4 compression)
  • Save attributes to file (e.g., per-residue surface areas)
  • Open command reads attribute files
  • Read netCDF Amber trajectories
  • Read V3000 SDF files
  • Open flat image as a model

Planned New Features

Support for NIH 3D pipeline based on needs of collaborators and goals of NETE contract.

• REST server with JSON return values (Eric)
• Virtual reality meetings handling firewalls using AWS (#3687) (Tom)

Support for AMBER tools (Eric, Greg)

Infrastructure

• Update Python 3.7 to 3.8
• Update from Qt 5.12 to 5.15 (fixes Mac crash #3682). #3632
• Replace PyQt5 with PySide2 (#1635) (Tom)
  • Investigate using a shim that allows switching between !PyQt5 and !PySide2 (#4120)
  • Big issue is what might be happening with Qt6 and PyQt6 vs. !PySide6 (#4119)
• Fix for macOS Big Sur
• Documentation search (#1150) (Greg)

Developer support

• Moved ChimeraX source code to GitHub. (Tom) #3631
• Make ChimeraX GitHub public (TomF, TomG)
• Make ChimeraX wiki roadmap public (Scooter)
• Make ChimeraX tickets searchable without login (Scooter)
• Add ChimeraX ​recipe examples (Tom)
• Make 3 minute video how to write and upload a bundle (Tom)

Toolshed improvements (Greg)

• Bundle documentation (#782, #2689)
• Faster startup (#3827, #3861)
• Handling dependencies (#3624, #3890, #3403)
• Upload standard bundles (#3058, #3355)
• Improve bundle install (#3541, #3552, #3795, #3896, #3898)