IMPORTANT:
Make sure that line separators in input files match
the file separator of the platform you are running Molekel on;
e.g. if you have a file that was generated/modified on Windows
and you want to read that file on Linux then convert the end
of line separators with dos2unix.
If end of line separators are not correct you might incur into
problems when reading GAMESS, Molden and Gaussian files.
Change log
5.4
- Added support for saving images bigger than 3d view window;
doesn't require offscreen rendering support; works on any card - Added ability to freely move the bounding box used for computing
orbital and electron density surfaces; this allows to save time by
restricting the computation to a specific volume of space - Added context menu in tree view to speedup interaction with display
preferences and surface generation - Added display style button + menu to quickly switch among styles
- Added display of animation sequence number
- Fixed bugs:
- 675 - Display geometry number
- 1091 - Context menu in tree view
- 1074 - Density matix not computed for formats other than Gaussian
- 1088 - #include directive missing
- 1089 - wrong operator= in src/utility/shaders/Shaders.cpp
- 1092 - Save images bigger than Molekel 3D view
- 1094 - Wrong documentation URL
- 1095 - View menu items always checked
- 1096 - Save bounding box size
- 1097 - Wrong display of "Ball & stick" menu item
- 1098 - Show isosurface bounding box
- 1099 - Move isosurface box center