Fedora 13 Update: gabedit-2.3.0-1.fc13

updates at fedoraproject.org updates at fedoraproject.org
Thu Sep 9 01:14:38 UTC 2010

Fedora Update Notification
2010-08-31 06:07:59

Name        : gabedit
Product     : Fedora 13
Version     : 2.3.0
Release     : 1.fc13
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:

Update to latest stable release. Numerous enhancements and bugfixes:    *
Reading of orbitals, geometry and normal modes from a fchk Gaussian file.  *
Minor bugs were fixed (The label bug under XYPlot window,with gtk2.18 has been
fixed)  * Reading of 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.  * Computing of spatial overlap matrix <ii|delra(ri,rj)|jj>.  * A
contours plotting tool has been implemented.  * 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

* Thu Aug 26 2010 Dominik Mierzejewski <rpm at greysector.net> 2.3.0-1
- updated to latest stable version (2.3.0)
- fixed build with current F13 GTK2

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/.

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