And of course, there are a lot of features and bug fixes between 1.97 and 1.98.
- Improved rendering including ambient occlusion
- New template tool for assembly of inorganic complexes and ligands / functional groups
- Better perception of bond orders
- New forcefield framework supporting external Python scripts (e.g., XTB, ASE, ANI-2x, etc.)
- Align tool
- Manual translate / rotate dialog
- Integration with 3Dconnexion input devices on Mac and Windows
- Fetch molecule names from PubChem
- Commands to create centroid and center-of-mass points
- Improved “fill unit cell”
- Preview images of insert molecule fragments and import crystals
- Build improvements, including initial support for Qt6
- Integrated Orca ouputfile support (from Orca-enhanced Avogadro)
- Add a generic compchem output reader (i.e., should automatically handle
.out
and.log
files) - Initial scripting support