eMap is a Windows software package for simulations/calculations and 3D visualization in crystallography with the following features:

3D electron density/potential maps

  • calculations of 3D or 2D electron density or electrostatic potential maps
  • visualization of calculated density maps in 3D
  • rotation, zooming and panning in real-time
  • perform a peak-search (atomic positions) within a calculated map with export in INS file format (can be read by any atomic structure visualizing software)
  • manipulations with reflections lists (expanding etc.) using built-in space group explorer which supports both space (530 settings for all 230 space groups) and plane groups (21 settings for 17 plane groups)

Diffraction patterns simulation

  • calculation of theoretical structure factors using scattering factors for X-ray or electrons with possibilities of editing the atom parameters, unit cell parameters, and asymmetric unit
  • simulate diffraction patterns (X-rays and kinematical electron)
  • simulate electron precession diffraction patterns in 2 modes – integrated and animated views
  • display Kikuchi lines and HOLZ lines