MacMolPlt 7.6
14 05 15 - Filed in: computational chemistry
I just got this message regarding MacMolPlt a graphics program for plotting 3-D molecular structures and normal modes (vibrations).
I have just finished posting the final binaries for MacMolPlt 7.6. In addition to the code changes I have had to move the home site and binaries download sites due to the impending shutdown of Google code.
This version includes the following changes:
- 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).
I have also reworked the 3D orbital generation code to significantly improve performance. Please report anything that doesn't look quite right.
Binaries and source files are available at: http://brettbode.github.io/wxmacmolplt/
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