Attendees

• Conrad, Elaine, Greg, Eric, TomG, Scooter

Agenda

• ChimeraX registration
• ChimeraX 0.6 performance
• Review milestone priorities
• Wildcard/regex/case matching in commands

Discussion

• ChimeraX registration code almost works, Conrad will look into it
• ChimeraX 0.6 performance
  • Looking up bfactor (1 million times):
    • ChimeraX:
      • ctypes: 1.38s
      • custom library with property wrapping: 0.5s
      • custom library with no wrapping: 0.185s
      • random floating point attribute in Python: 0.072s
      • Cython with no wrapping: 0.021s
        • loop is in Cython
      • Cython with no wrapping: 0.156s
        • loop is in Python
    • Chimera 1:
      • access bfactor via wrappy2: 0.062s
      • custom library with no wrapping: 0.181s
  • Collect data
    • Cython is really fast
  • Paths forward
    • Cythonize Atom into Python type?
    • Cythonize Atom methods?
    • Cythonize hydrogen bond code? How hard is this?

Action Items

• Conrad will enable registration code
• Eric will investigate Cython for classes and methods
• Conrad will write bundle code tutorial
• Conrad will continue working on ribbon tickets
• Conrad will create ticket to investigate implementing the "like" operator
  • e.g., to specify polymer in atomspec