ChimeraX Developer Meeting

Attendance: Eric, Zach, Tom

October 2, 2023

Agenda

• NIAID monthly report
• Task Manager progress
• Install Grafana on plato to monitor web services.
• ViewDockX port to Qt progress
• How does ChimeraX code that needs an optional bundle on Toolshed query for it?
  • Implications for library distribution
• Wording of LGPL notice / which files to change
• Toolshed website spinning progress never goes away.
• Release initial ChimeraX library on PyPi or Conda
• Back up the Chimera build machine to a solid state drive, Windows 7.
• ChimeraX Ideas milestone clean-up.

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Discussion

• NIAID monthly report
  • We will update monthly report before Scooter returns on Friday so it is ready to send when he gets back.

• Meta Connect conference
  • Talks were all about mixed reality and AI, no VR.
  • All talks ended with "We can't wait to see what you will do with this" as if Meta has no idea how to make these technologies profitable.
  • New Quest 3 headset may have hand tracker issues due to occluded IR leds and lack of headset cameras looking upward.

• Task Manager
  • Zach has merged task manager code.
  • Web services and Phenix tools use tasks.
  • Restoring tasks from sessions is only implemented for BLAST Protein, and in a way that access private data structures.

• ViewDockX
  • Mikhail sent email before meeting: "I have the table and selection working, and am working on implementing clashes and h bonds - don't have those yet, but should be done with that this week. Am including my latest working version of code as well as an image to show that the selection on the table is working. Code is not very well cleaned up yet - there's still fragments of code taken from the blast protein code that I'll clean up later."

• ProofPoint bounced email
  • Mikhail's email to Eric was quarantined possibly due to zip file attachment containing .js javascript files.
  • Gmail to Eric also bounced and gmail online guidelines say it will not deliver email with .js attachments.
  • Mikhail's email did go through to sonic.net.

• How does ChimeraX code that needs an optional bundle on Toolshed query for it?
  • Thinking about this with ESPALOMA machine learning MD parameter determination.
  • Also might need a method to handle optional PyPi dependencies like PyTorch that are too large to ship with distribution.
  • Tom suggests we address this once we have an actual use case.
  • For ChimeraX PyPi library the users (developers) can just get an import error and deduce that they need to install an optional PyPi package.

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Action Items