Computational Crystallography Toolbox source code Explore symmetry Obtain detailed information about a space group Alternative space group settings Browse alternative space group settings for a given space group Structure factor calculation Calculate structure factors from a set of atoms SHELX LATT and SYMM cards Generate SHELX LATT and SYMM cards for a given space group Wyckoff positions Assignment of Wyckoff positions to atoms in a given unit cell Fractionalization and orthogonalization of coordinates Convert coordinates from/to Fractional or Orthogonal Change space group setting Convert coordinates from one space group setting to another Change the hand of a crystal structure Change the hand of a set of coordinates (useful in heavy atom location) Euclidean Model Matching (EMMA) Superimpose two sets of coordinates taking into account different origin choices and polar axes (useful for comparing potential heavy atom solutions) LABELIT Autoindex a pair of macromolecular diffraction images