Avogadro Roadmap
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Roadmap for Avogadro v2 Development
Avogadro2 0.9
Released
Avogadro 1.91
Avogadro 2.0
General needs:
- Selection Tool & Menu - Geoff or Marcus
- Residue / fragment support - Marcus
- Translation Setup
Hydrogen geometry- GeoffFormal charges, hybridization- Unit tests
- Force field implementation (Lennard-Jones, UFF) - Geoff
- Adapt obmm Open Babel tool (IO with Cjson)
- Constraints
- Updated geometries (i.e., drag an atom - force reoptimize w/ AutoOpt mode)
- Global settings dialog (Marcus for initial implementation at least)
- Download input generators
- Download python IO layer
- Search paths for fragments, etc.
- Download / update translations
- Crash Reporter / Breakpad
- App integration
Server integration (crash.avogadro.cc)
Tool needs:
- Selection - Marcus
- Eye candy interaction rendering
- Rotate around center-of-geometry
Extension needs:
- View along axes
- Re-center view
- Improved force field support
- Auto-optimize
- Freeze / constraints
- Selection (by element, residue, etc.)
- Properties Tables
- Need bond, angle, torsion, non-bonded iterators
- Spectra
Vibrations- Orbital table
- Build features
Insert SMILES- Insert fragment
- Insert peptide
- Insert DNA/RNA (via FASTA format)
- Invert chirality
- Open / search MongoChem
- Fragments
- Crystal structures
- Crystallography (Patrick)
spglibPerceive / Set space groupFill unit cell
Rendering needs:
- Labels
- Dipole moment
- Cartoon
- Needs residue support
- Hydrogen bonding
- Forces
- Settings Dialogs - couple of examples already there
- Color plugins
- Configure element colors
- Valence check
- Hybridization
- Partial charge
- Merge VdW rendering (Auto, AO off, AO on) - Tim
- Volume density, contours (VTK integration) - Marcus
Interface Polish
- Settings / Preferences
- Custom atomic colors
- Custom radii
- Menu reorganization
- Help menu
- Links to website, manual, bug reporting, etc.
- Help menu
- Mac polish - Geoff
- Mac laptop keys (no 3-button mouse) - Geoff
Info.plist (and other icons)Remove Mac menu iconsFix high-resolution icons