ChimeraX Developer Meeting

Attendance: Eric, Zach, Tom, Greg

December 12, 2022

Agenda

• Install Splunk on plato to monitor web services.
• Remove UI bundle from toolshed?
• Update prereqs now?
• ChimeraX 1.5.1 release needed? RCSB ligands. Backport fixes (Eric)?
• ChimeraX 1.6 roadmap.
• Make Chimera release this year?
  • Eric will see if Opal web services can be migrated to REST.
• Back up the Chimera build machine to a solid state drive, Windows 7?
• Toolshed bundle requirement checking
• Discuss possible OpenMM and VR improvements for Tristan and Altos to pursue
• Arrow graphic for Mac dmg file

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Discussion

• Delete UI bundle from toolshed
  • Greg deleted it.
  • Add /admin to cxtoolshed url to access admin interface.

• ChimeraX 1.5.1 release for PDB ligand-expo url change?
  • Decided to just put a new mmcif bundle on toolshed.
  • PDB said they will try to preserve the URL that ChimeraX is using.
  • If ligand-expo not available then opening mmCIF that needs template says "Could not fetch template for GAL, bonds may be wrong."

• Chimera release
  • Evaluate in January after Eric has studied if Opal web services can be ported to REST.
  • Also wait to see if PDB ligand-expo changes effect Chimera.

• Cloud ChimeraX builds
  • Zach almost has builds working on Github Actions, Intel only, not Linux

• Splunk for viewing web services logs
  • Next step, Greg suggests that Zach make a singularity image (on own machine) and try it on plato.
  • Zach showed us Splunk dashboard viewing blast, modeller, muscle jobs.
  • Free license allows one user, 500 MB per day.
  • Zach used Docker image, but RPMS supposedly available.
  • Greg suggests try using a singularity image on plato.
  • Eric asks if jobs that have not completed can be shown.

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Action Items

• Present github continuous integration tutorial. Zach
• Beta releases on Toolshed - make ticket for this. Greg