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Developpement version

The current stable version of gabedit is 2.2.7

(update :  November 12, 2009)


The source files for all systems(tar.gz file) : Download
(To compile Gabedit under Mac OS X see here)

The binary file for Linux i386 glibc 2.3 : Download

The Gabedit installer for Linux, including Gtk library : Download

The Gabedit installer for Windows(XP, 2000 and Vista) : Download


Here is a list of the significant changes between 2.2.7 and 2.2.6:
  • Minor bugs were fixed
  • Implementation of a tool to predict the masses and abundances of the isotopes for a given molecule.  Atomic weights and isotopic compositions for All Elements are taken from   http://physics.nist.gov/PhysRefData/Compositions/
  • Implementation of a tool to compute the electrophilic, nucleophilic and radical susceptibilities for a molecule.


 

Stable version

The current stable version of gabedit is 2.2.6

(update :  October 21, 2009)


The source files for all systems(tar.gz file) : Download
(To compile Gabedit under Mac OS X see here)

The binary file for Linux i386 glibc 2.3 : Download

The Gabedit installer for Linux, including Gtk library : Download

The Gabedit installer for Windows(XP, 2000 and Vista) : Download


Here is a list of the significant changes between 2.2.6 and 2.1.8:
  • Minor bugs were fixed
  • Orca is now supported  See the Start with ORCA Tutorial
  • Computing of AIM charges [See W. Tang et al J. Phys. Cond.. Matt. 21, 084204(09)]
  • All geometric changes can be undone and redone (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

 


Subpages (3): ChangeLog Compilation of Gabedit under MacOSX11 Notes

Attachments (2)

  • .gabedit.exe.gz - on Nov 13, 2009 7:55 AM by abdulrahman allouche (version 5 / earlier versions)
    1724k Download
  • GabeditSrc227_141109.tar.gz - on Nov 13, 2009 7:52 AM by abdulrahman allouche (version 1)
    1678k Download