Fedora 16 Update: gabedit-2.4.0-1.fc16

updates at fedoraproject.org updates at fedoraproject.org
Fri Nov 25 02:22:08 UTC 2011


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Fedora Update Notification
FEDORA-2011-15508
2011-11-06 23:37:58
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Name        : gabedit
Product     : Fedora 16
Version     : 2.4.0
Release     : 1.fc16
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.

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Update Information:

Latest stable release. Changes:

* Minor bugs fixed.
* NWChem is now supported.
* Geometry and charges can be read from a aimall file(.sum)
* Computing of pair radial distribution
* RMSD tool
* Reading dipoles from a ADMP output file and computing of the auto correlation dipole function (warning: not fully tested)  
* DFT (Discret Fourier transform) tool added to XYPlot window
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ChangeLog:

* Sat Nov  5 2011 Dominik Mierzejewski <rpm at greysector.net> 2.4.0-1
- updated to latest stable version (2.4.0)
- include 24px icon
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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
https://fedoraproject.org/keys
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