Integration with different crystallographic packages.

Integration with different crystallographic packages.

Oxford CRYSTALS

MCE 2005 is able to read the result of Oxford CRYSTALS package slant fourier map and voids map calculation. After correct installation , you will be able to directly launch MCE 2005 by the help of "Run MCE" from the CRYSTALS Fourier map and Voids map menu.

SHELX/WinGX

The WinGX program is necessary for using the MCE with SHELXS. WinGX will prepare the correct ASCII input for MCE from the Maps->FOURIER MAP menu. You must download WinGX 1.62 beta version or higher. Proper export into a MCE compatible file (file with the .fou extension) could be achieved by checking the "Write MarchingCubes File" option on the Fourier map export panel. The result could be than opened by all MCE version

GSAS

The latest version of MCE (MCE 2005) supports input from GSAS .GRD and GSAS .EXP (.fob, .del, .fcl, .pts, .2fd) files. See GSAS manual for details.

XD

The latest version of MCE (MCE 2005) supports input from XD *.GRD files.

JANA 2006

The latest version of MCE (MCE 2005) supports input from JANA 2006 *.GRD files. See JANA manual for details.

Oscail

The latest version of MCE (MCE 2005 2.2.2) supports input from Oscail.

*.3d information

MCE 2005 also supports general input voxel file format - *.3d (MCE version 3.2.0 and higher).