The Assemble-And-Match software extracts molecular structure information from protein data bank or uses a custom ab initio model to generate CAD models of the receptor and ligand fragments. These are fabricated using a 3D printer. The user then applies their geometric intuition and insight to form high affinity ligand-receptor complexes. Following that, they report the favorable conformations to the software by measuring the torsion angles. The software enables evaluation of various properties of the complex.