Attendees

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

Agenda

• ChimeraX 1.3 release goals, review tickets.
• New desktop computer hardware.
• Who will work on each of Phenix, NIAID, CZI, R01 grant goals?
• Review Action Items list below

Discussion Notes

• Phenix R24 meeting recap
  • Right before this meeting had monthly Phenix R24 meeting, TomF and TomG attended.
  • Christopher Schlicksup gave demo of Phenix starting ChimeraX, showing map and model and selecting validation report residues.
  • Phenix will have production release at end of October (once every 6 months).
  • May try to get ChimeraX interaction into that Phenix release
  • Interaction demo used pyro for communication and a ChimeraX client bundle.
  • Oct Phenix release uses Python 2.7 but next release will use Python 3.7

• 1.3 release branch and candidates
  • Dates will be discussed in developer meeting later today.

• Model cif format
  • Tom Ferrin said RosettaFold models will be put on RCSB database using "model cif" which is same as AlphaFold format at EBI.
  • AlphaFold database files are good compliant mmcif even referencing which mmcif dictionary is used.
  • Seems model cif may just refer to mmCIF or some closely related dictionary.
  • Models generated by AlphaFold code are only written in PDB format with just ATOM records. mmCIF must have been created by EBI as a post-process.

• macOS Monterey
  • TomG tested ChimeraX and Chimera on macOS Monterey beta 8 -- working

• AlphaFold on Wynton
  • TomG has run AlphaFold on Wynton including queued jobs on GPU nodes.

Action Items

• Create tutorial for putting model on web page - TomG
• Figure out what additional plato directories need backup - Scooter
• Set up 2-factor authentication for hal2 vpn - Scooter
• Document new vpn setup on Linux - Scooter