MCE  C++/MFC version

Main futures:

1) Simultaneous single or double source data map visualization
2) Manual adding new peaks in the map + export to CRYSTALS possible
3) The stereoscopic visualization is possible by the help OpenGL  HW page flipping
4) The picture of the map could be saved in BMP format


    Unzip the file in a separate directory. Nothing else is necessary. The ZIP file contains one map with complete source format description. For integration in the CRYSTALS system replace the CRYSTALS script by the one from the MCE distribution and place the MCE.exe and atompar2.txt file into crystals MCE sub directory (e.g. F:\Wincrys\MCE) .

Using the stereoscopic modes of the program

    Run the MCE.exe file with the -s option. This futures work only on graphic cards supporting OpenGL HW stereoscopic visualization (Quadro, Wildcat, Oxygen ). For stereo interlaced output (LCD shutergalsses with line blanking HW) use -i option.


    Mouse commands:
left button - rotation control
left button + shift - scale
mouse wheel - scale
right button - add peaks to map

The rest of the command is accessible through self explanatory menus.

Sample screen shot

Single map control panel and a molecule with difference fourier map visualized (clearly interpretable as H atoms) :


Simultaneous visualization of multiple map. The red map is a difference fourier map. The blue map shows a cavity (void map). It is clear that this map partially correlate and the difference map could be interpreted as a solvent in the structure.



MCE 1.26 MFC version executable with sample data and CRYSTALS configuration scripts included.

MCE 1.26 MFC version executable and source code.