Avogadro Roadmap

Avogadro2 0.9
Released 7 March 2016

Avogadro 1.91
(Already implemented):
 * Expanded support for import / export
 * Improved draw tool
 * Improved automatic adjustment of hydrogens
 * Automatic bond order - short bonds are double or triple
 * Improved crystal / materials support (GSoC project)
 * Integration with spglib to perceive space groups
 * Symmetrize unit cells
 * Reduce to primitive cells

Avogadro 2.0

 * Finish auto-optimize force field support
 * Add force field constraints

General needs:

 * Selection Tool & Menu
 * Needs selection box
 * Selection needs to be undo/redo-able
 * Many features need to be "selection enhanced"
 * Residue / fragment support - Marcus
 * Translation Setup
 * Hydrogen geometry - Geoff
 * Formal 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)
 * spglib
 * Perceive / Set space group
 * Fill 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.
 * Mac polish - Geoff
 * Mac laptop keys (no 3-button mouse) - Geoff
 * Info.plist (and other icons)
 * Remove Mac menu icons
 * Fix high-resolution icons