Molecular data representation in memory space is a crucial component of the processing workflow for scalability to create vivid and intuitive graphics in VR. To manage different sections of the workflow, MINT has a hierarchy of data classes and helper classes that are dedicated to representing and managing molecular data receiving from CANDIY. All the entries in the PDB file that describe atoms are used to generate atom data arrays, which are stored within the molecule data class. From a single molecule data object, various in-game representations can be generated (Figure ). First, MINT's algorithm generates a molecule representation base from the atom data arrays, which connects the molecular data with its in-game representation, because a single molecule often possesses many different types of molecule representation forms. Next, MINT uses the marching cube algorithm to generate a mesh that simulates the protein's surface and uses native features in the Unity game engine such as game object instantiation and line renderers to simulate atoms and bonds for ball-and-stick representation. The molecule representation base forms the basis for atom manipulation and interaction with the user by enabling collision detection with user's VR controller. Physical collision provides the player with useful feedback about the position and orientation of the molecule. The changes that the user makes on the molecular structure, such as transformation, making/breaking bonds and angular bond rotation, update the molecule and atom data which then go through CANDOCK for error checking, automatic optimization, and most importantly, validation of these VR operations to ensure the scientific accuracy. Finally, CANDIY updates the molecule data, which is then returned to the user through visualization via the molecule representation in Unity.