Attendees

TomF, TomG, Greg, Sam, Elaine, Conrad

Agenda

• Status update

Status update

• Four tasks
  1. Add graphical attributes to molecular data structure. (Eric)
     • Graphical attributes have been added, including atomic radii.
  2. Modify MMCIF/PDB readers to output new molecular data structure. (Greg)
     • Mostly working, but multi-chain models may still be missing bonds.
  3. Render the molecule. (Tom)
     • Have added rudimentary rendering that doesn't use graphical attributes, just shows all atoms as spacefilling in element colors. This is useful for checking data loading and has revealed an issue with setting center of rotation. Start using the graphical attributes now that they are available.
     • Will also add cylinders to allow bond visualization. Discussion with Greg that things should be put into Geometry so that they will work without GUI.
  4. Display toolshed GUI. (Conrad)
     • Conrad will finish up the Tools manager documentation and then work on atomspec parser

Next Meeting

• Further status updates at Thursday meeting