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The following is a listing of ongoing development projects and the people working on them. The assignment of particular projects to upcoming releases should be considered tentative.

Version 2.1 (Targeted for Fall 2006

  • Software Archeology
  • OBGenericData improvements
  • Header reorganization
  • Iterator improvements
  • Test suite improvements
  • New file formats
  • Loading OBFormat modules on an as-needed-basis

Version 3.0 (Targeted ???)

  • Revisit classes, methods (eliminate deprecated methods, migrate some methods to/from base classes)
  • Atom indexing from 0 (i.e., all data finally indexed from 0)
  • Header reorganization (use minimal #include statements in public headers)
  • Generalization of OBBond class
  • Generalization of queries (beyond just SMARTS matching)
  • Use of base libraries (e.g., Boost)

Ongoing Projects

  • Geoff
    • 3D coordinate generation using z-matrix
    • Novel partial charge models