[Date Prev][Date Next]   [Thread Prev][Thread Next]   [Thread Index] [Date Index] [Author Index]

Fedora 10 Update: gabedit-2.2.4-1.fc10



--------------------------------------------------------------------------------
Fedora Update Notification
FEDORA-2009-8958
2009-08-25 03:12:52
--------------------------------------------------------------------------------

Name        : gabedit
Product     : Fedora 10
Version     : 2.2.4
Release     : 1.fc10
URL         : http://gabedit.sourceforge.net/home.html
Summary     : GUI for computational chemistry
Description :
Gabedit is a Graphical User Interface to Gamess-US, Gaussian, Molcas,
Molpro and MPQC computational chemistry packages. Gabedit includes
graphical facilities for generating keywords and options, molecule
specifications and their input sections for even the most advanced
calculation types. Gabedit includes an advanced Molecule Builder. You
can use it to rapidly sketch in molecules and examine them in three
dimensions. You can build molecules by atom, ring, group, amino acid and
nucleoside. You can also read geometry from a file. Most major molecular
file formats are supported.

--------------------------------------------------------------------------------
Update Information:

 Minor bugs were fixed.  * Orca is now supported. See the Start with ORCA
Tutorial.  * 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  * The new version
of PCGamess (firefly) is now supported.
--------------------------------------------------------------------------------
ChangeLog:

* Fri Aug 21 2009 Dominik Mierzejewski <rpm greysector net> 2.2.4-1
- updated to latest version (2.2.4)
- shortened the description field
- desktop file has been upstreamed
- dropped obsolete patches
- use posttrans for faster installation
--------------------------------------------------------------------------------

This update can be installed with the "yum" update program.  Use 
su -c 'yum update gabedit' at the command line.
For more information, refer to "Managing Software with yum",
available at http://docs.fedoraproject.org/yum/.

All packages are signed with the Fedora Project GPG key.  More details on the
GPG keys used by the Fedora Project can be found at
http://fedoraproject.org/keys
--------------------------------------------------------------------------------


[Date Prev][Date Next]   [Thread Prev][Thread Next]   [Thread Index] [Date Index] [Author Index]