Version 2.1 Projects
From Open Babel
This page itemizes some projects targeted for release in version 2.1.
- Software Archeology
- Documentation for all public functions
- OBGenericData improvements
- OBUnitCell additions
- Support for "origin" attribute (i.e., data from user, data from original file, generated by Open Babel, other...)
- Generalized key/value OBPairData
- Header reorganization (i.e., build layout matches installation #include path)
- Split out atom.h, bond.h, residue.h, from mol.h
- Iterator improvements
- Breadth-first and depth-first iterators
- Test suite improvements
- New file formats
- ChemDraw CDX
- Loading OBFormat modules on an as-needed-basis
- Support for adding input keywords using babel command-line for QM formats (e.g., GAMESS Input or Gaussian Cartesian
