-------------------------------------------------------------------------------- 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 <[email protected]> 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 -------------------------------------------------------------------------------- _______________________________________________ Fedora-package-announce mailing list [email protected] http://www.redhat.com/mailman/listinfo/fedora-package-announce
