Fedora 23 Update: wxmacmolplt-7.6.2-1.fc23

updates at fedoraproject.org updates at fedoraproject.org
Fri Mar 25 01:30:43 UTC 2016

Fedora Update Notification
2016-03-25 01:07:07.544951

Name        : wxmacmolplt
Product     : Fedora 23
Version     : 7.6.2
Release     : 1.fc23
URL         : http://brettbode.github.io/wxmacmolplt/
Summary     : A graphics program for plotting 3-D molecular structures and normal modes
Description :
MacMolPlt is:
* A modern graphics program for plotting 3-D molecular structures and
  normal modes (vibrations). Modern means:
  o Mouse driven interface for real-time rotation and translation.
  o copy and paste functionality for interfacing to other programs such
    as word processors or other graphics programs (like ChemDraw).
  o simple printing to color or black and white printers (publication
  o multiple files open at once.
* It reads a variety of file formats including any GAMESS input, log or
  IRC file directly to create animations of IRC's, DRC's, and
  optimizations. You may also import a $VEC group from any file (such as
  a GAMESS .DAT file). In addition xMol XYZ files, MolDen format files
  and Chemical Markup Language (CML) files are supported. Also some PDB
  file support and MDL MolFile support is included.

Update Information:

Changes since version 7.5:  * Added controls for the autorotation feature. New
menu item to start/stop and preferences in the 3D prefs pane to directly set the
velocity. * Corrected orbital generation bug when effective fragments are
included. * Worked on the parsing of GVB log files so that all permutations
should now be correct. * Added pane to view/edit GVB input parameters to the
input builder. * Set the default MO to be the HOMO or something near it and
highlight the HOMO in the list.  * Added the base filename as a prefix to all
subwindows for easier identification when multiple documents are open
simultaneously. * Fixed a bug in the point group determination code that caused
failures when the principle orientation changes with the tolerance. * Improved
error handling in parsing XYZ files. * Added parsing for more than one GVB
orbital pair. Note each pair is simply labeled "Overlapping GVB Pair", but the
pairs are in order. * Corrected a parsing issue with GVB NSETO.gt.0. * Energy
plot window now accepts the same keystrokes as the main display window to change
frames (left, right, home, end) * Fix a parsing issue with ROHF GAMESS log files
* Account for an $EFRAG group change to allow all fragment atoms rather than
only the first three. * Fixed a crash in the frequency window (when no normal
modes are present) * Fixed the positioning of lone pairs in the builder when the
coordination number plus the number of lone pairs is 5. * Fixed a couple of
parsing issues with MolDen and Molekel (mkl) files. * Added GIF and TIFF export
image formats (requires wxWidgets 2.9 or newer). * Moved distribution site to
GitHub due to Google code shutting down. * Implemented a performance improvement
to the 3D orbital computation. Please report anything that does not look correct
or that is inconsistent with the 2D code.

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

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