What's new in Gabedit 2.4.0
Sep 29, 2011
- Minor bugs have been fixed.
- NWChem is now supported.
- The native Windows games is now supported.
New in Gabedit 2.3.5 (Jan 21, 2011)
- Minor bugs were fixed.
- Atoms can be fixed during a molecular dynamics simulation.
- Migration from Cairo to OpenGL for drawing the geometry window.
- Migration from gtkglarea to GtkGLExt.
- Parallelization using OpenMP.
New in Gabedit 2.3.0 (Jul 12, 2010)
- Minor bugs were fixed.
- The user can read the orbitals, geometry and normal modes from a fchk Gaussian file.
- One can read the orbitals from the new mopac aux file format (including the compressed format).
- Several new options in XYPlot and ContoursPlot windows (insert text, line, arrow, images, new themes...).
- The bond lengths can be fixed during a MD simulation.
- Partial optimization is now possible with the MM potential.
- Implementation of a tool to predict the masses and abundances of the isotopes for a given molecule. Implementation of a tool to compute the electrophilic, nucleophilic and radical susceptibilities for a molecule.
New in Gabedit 2.2.0 (May 30, 2009)
- Minor bugs were fixed
- All geometric changes can be undone and redone using the Undo and Redo (u/U or Ctrl z/Ctrl y)
- The user has complete control over the bonds displayed in a drawing.
- The drawing of the molecule atom by atom have been simplified.
- The drawing of the molecule fragment by fragment have been simplified.
- Gabedit read connectivities from gabedit, hin, pdb, mol2 and mol files.
- The user can set the value of the distance, bond angle and dihedral angle.
- A Molecular dynamics conformational search is implemented using a MM potential (Amber 99).
- A Molecular dynamics conformational search is implemented using a Semi-Empirical method (from Open Mopac or PCGamess).
- Migration from GDK drawing functions to Cairo: Cross-device Rendering for Vector Graphics.
- Cairo is now used for the XYplot gabedit widget(used by gabedit for draw spectrums).
- Cairo is now used for the geometry drawing window.
- Geometry can be exported in eps, ps, pdf or svg file.
- The curves of XYplot window can be exported in eps, ps, pdf or svg file.
- New tool for compute distance between 2 points on XYPlot window. "Control + shift button" can be used for do a zoom on XYPlot window.
- The new version of PCGamess (firefly) is now supported
New in Gabedit 2.1.13 (Dec 12, 2008)
- Minor bugs were fixe
- A Molecular dynamics conformational search is implemented using a MM potential (Amber 99).
- A Molecular dynamics conformational search is implemented using a Semi-Empirical potential (using MOPAC or PCGAMESS).
- One can optimize the geometry interactively using MOPAC or PCGamess semi-empirical method, from the Draw Geometry window
- Migration from GDK drawing functions to Cairo: Cross-device Rendering for Vector Graphics. Cairo is now used for the XYplot gabedit widget(used by gabedit for draw spectrums). Cairo is now used for the geometry drawing window.
- Geometry can be exported in eps, ps, pdf or svg file. The curves of XYplot window can be exported in eps, ps, pdf or svg file.
- New tool for compute distance between 2 points on XYPlot window. "Control+left button" can be used for do a zoom on XYPlot window.
- The new version of PC Gamess/Firefly is now supported