To illustrate the MINT workflow, we have detailed out each step of the workflow for PDBID 4XUF in Figure . MINT begins by interpreting the PDB input file (Figure ) and converts the textual atomic records into atom data arrays that form a complete representation of the molecule in working memory (Figure ). MINT produces an intuitive VR visualization using these coordinates which the user can interact with to optimize the docking score of the ligand (Figure ). Once a user has performed a manipulation on the ligand such as rotation or translation, the change is reflected in working memory (Figure ). Finally, MINT outputs the modified data as a PDB file that can be used in other applications or reopened in MINT for further analysis (Figure ).