Structure Input 3D-Structure Generation Calculation of Properties Structure Coding Network Training Spectrum Simulation

Generation of a 3D Structure

The chemical, biological and physical properties of a molecule are depending to a great extent on the three-dimensional arrangement of the individual atoms.

The 3D structure generator CORINA (COoRdINAtes) calculates a 3D structure in a low energy conformation of a molecule. The cartesian coordinates generated from the basis of the structure coding procedure explained later.