Protein Modelling -Utilizing the data generated through X-ray diffraction and NMR studies, models can be constructed with the help of computer graphics. There are computer programmes available (interactive colour graphics programmes) with the help of which a protein structure can be fitted to the electron density map (obtained from X-ray diffraction) by simultaneous display on the screen of computer monitor. Similarly, Van der Waals surfaces for the protein can be displayed and interaction between several molecules simulated.

There are also other interactive molecular graphics which can be used (with the help of programmes) to find out the perturbations (disturbances) in protein structure that will result from specific modifications of amino acid sequences.