Attendees

• TomG, Zach, Eric, Elaine, Greg, TomF

Nov 17, 2022

Agenda

• TomG presenting, NIAID contract progress, CZI cryoET meeting, ESMFold
• New hardware
• New hire requirements
• ChimeraX 1.5 release progress
• Review Action Items listed below

Discussion Notes

• Eric's NIAID work
  • Made addcharge tool.
  • Improved specification of structures for dockprep tools.
  • Improved numerous ChimeraX handling of bad input, charge calc failures, wrong atom names, mol2 and sdf file issues.

• Greg NIAID work
  • Added reading small-molecule cif files with limitations: no alt-locs, symmetry currently

• Zach NIAID work
  • Fixes to DICOM reader and trigger handling

• Elaine NIAID work
  • Documented Eric's additions, DICOM tool, ESMFold, ....

• TomG slides
  • CZI cryoET meeting
  • ESMFold structure prediction in ChimeraX
  • AlphaFold prediction services for large complexes, paid cloud GPU services.

Action Items

• Clean up VirtualHosts on our web servers -- Greg/Scooter
• Document new vpn setup on Linux -- Scooter
• Audit followup -- Scooter