September 29th, 2011· Minor bugs have been fixed.
· NWChem is now supported.
· The native Windows games is now supported.
January 21st, 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.
July 12th, 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.
May 30th, 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
December 12th, 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
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