Initial Molecular Data API - Eric

Goals

• Define molecular data management API
  • Create and manipulate atoms, residues, chains and molecules
• Apply API to read in PDB file
  • Demonstrate usability of API
• Display molecular data graphically
  • Test graphics API

Report

• Finished coding/translating PDBio core and supporting molecular classes (no compilation yet)
• Very low-level support libs remain (template residues; basic PDB line parsing)

Initial Volume Data API - TomG

Goals

• Define volume data management API
  • Create and manipulate volumes, isosurfaces, etc.
• Apply API to read in volume data file
  • Demonstrate usability of API
• Display molecular data graphically
  • Test graphics API

Report

• Showed Qt demo with maps, molecules and fitting
• Discussed user interface, performance and new features to distinguish Chimera 2 from Chimera 1
• Experimenting with user interface, performance, features, and not yet working on APIs.
• ​Slides