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
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Fedora Update Notification
FEDORA-2016-5ad6e5f063
2016-03-25 01:07:07.544951
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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
quality).
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.
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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.
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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/.
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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