-------------------------------------------------------------------------------- Fedora Update Notification FEDORA-2011-15508 2011-11-06 23:37:58 --------------------------------------------------------------------------------
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. -------------------------------------------------------------------------------- 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 -------------------------------------------------------------------------------- ChangeLog: * Sat Nov 5 2011 Dominik Mierzejewski <[email protected]> 2.4.0-1 - updated to latest stable version (2.4.0) - include 24px icon -------------------------------------------------------------------------------- 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 -------------------------------------------------------------------------------- _______________________________________________ package-announce mailing list [email protected] https://admin.fedoraproject.org/mailman/listinfo/package-announce
