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;

HREM simulation

• calculations of projected potential, complex propagator, HREM images and dynamical electron diffraction patterns;
• displaying CTF function with varying parameters;
• list of microscopes with possibility of editing or/and adding new microscopes;
• multislice FFT algorithm optimized for modern multicore CPUs with FFT area up to 4096x4096 pixels;
• montage of HREM images with thickness/defocus dependence with zooming and scrolling possibilities;
• simple images palette manipulation (brightness/contrast + color palettes);
• efficient user interface allows single click for most operations.

HREM/ED simulations of nanoparticles

• calculation of HREM images and dynamical electron diffraction patterns for huge super-cells (for example, proteins or nanoparticles);

CBED patterns

• calculations of CBED patterns by Bloch waves method via matrix diagonalization (optimized for modern multicore CPUs);
• visualization of calculated CBED patterns;
• in-plane rotation and zooming in real-time;