ChimeraX Developer Meeting

Attendance: Greg, Zach, Tom, Eric, Piet

July 29, 2024

Agenda

• MACOSX_DEPLOYMENT_TARGET for bundle builder cythonize() to access any_cast
• Work in progress reports
• Chimera 1.18 release.
• Make Chimera end-of-life bug report and registration changes.
• Back up the Chimera build machine to a solid state drive, Windows 7.
• ChimeraX Ideas milestone clean-up.

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Discussion

• Chimera 1.18 release
  • Greg made release

• Raycasting
  • Zach merging ray casting code in daily build for Phil Cruz to try.
  • Zach says appearance or raycasting is looking good.

• Foldseek ligand gathering speed
  • Tom optimized analyzing ligands of 845 Foldseek hits by replacing delete commands that trimmed loaded structure with Python code.
  • Speed went from 1 hour down to 75 seconds.
  • Commands with atom specs can be especially slow if hundreds of models are opened even if the command operates on only one model because atom spec parsing may involve all models during intermediate steps, e.g. #1 & ~/A.

• Format of HTML tables in log
  • Greg is looking at style guide for format of HTML tables for possible improvement to Log chain, non-standard residue and assembly tables.
  • Justification of columns, zebra background color every other row, no borders, decimal points aligned, style issues.

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Action Items