Attendees

• Eric, TomG, Elaine, Greg, Scooter, TomF

Agenda

• ChimeraX release progress, early April release date.
• New hire job ​description
• SPOKE
• Funding
  • NTT Data - ​task order
  • R01 renewal, due July 5, 2021
• Recap of TEF's meeting with John Chodera: The Open Molecular Software Foundation
• Action items

Discussion

• NTT Data level of effort
  • Level of effort for Eric, Elaine, TomG on NTT Data contract had to be adjusted to get total under 100% for each person so Phenix R24 grant can be started.
  • Tom Ferrin wants to discuss with Scooter implications for NTT Data work.
  • UCSF Contracts office has not been very responsive when setting up NTT Data contract.

• R01 progress report
  • Tom Ferrin working on R01 progress report due in May
  • Tom will send google doc link
  • Elaine and TomG should provide list of highlights added to ChimeraX in past year.

• John Chodera molecular software foundation
  • Tom Ferrin met with John Chodera to discuss John's new non-profit to support molecular software.
  • Goal is to raise $1 million per year from philanthropy, pharmaceutical companies, CZI...
  • Foundation would support Peter Eastman's work on OpenMM.
  • A separate Open Force Field Consortium exists set up by John Chodera.
  • John says it is ok that ChimeraX not freely redistributable.
  • Not clear if ChimeraX has a role in foundation. Discussion is just to raise awareness.

• Apple Silicon
  • Tom Ferrin can order Mac Mini through Bear Buy, cdw-gov seller.
  • Can have it delivered directly to TomG's house.
  • Web reports say Apple M1 CPU 3 times faster running Python than some Intel machine.
  • Apple ARM machines not approved for UCSF use. Officially not supposed to be on UCSF network.
  • Some lab (Sali) have their own firewall to isolate such machines.

• R01 next steps
  • Phenix R24 has specific model building and validation ChimeraX projects, like adding a user interface for Phenix multi-residue fragment extension or flexible ligand placement.
  • To handle overlap in new R01 proposal for cryoEM model building and validation, might just say "additional user interfaces to Phenix tools are funded by the Phenix R24 grant".
  • TomG will make google doc for new R01 proposal text.
  • Everyone can put ideas into the R01 proposal draft in brief form.
  • Specific aims can be refined to match the ideas listed in the proposal.

Action Items

• Create tutorial for putting model on web page, TomG
• Summarize Phenix R24 ChimeraX aims to avoid conflict with R01 proposal, TomG
• Buy Mac Mini with Apple Silicon and KVM switch, TomF
• Figure out what additional plato directories need backup. Scooter
• Try to setup 2-factor authentication for vpn, Scooter
• Test new vpn on linux and document. Scooter