![]() ![]() The layout consists of mainly three components In this tutorial, I will cover the basics of PyMOL, one of the most famous molecular visualization software available so that you can get a taste of its general functioning. Lastly, they can be useful to generate high-quality images and movies for your publications or presentations. Another important point is the possibility to observe the dynamical evolution of the system obtained via Molecular Dynamics (MD) simulations. Some of the benefits of using molecular visualization software include the general ability to improve our understanding of the 3D structure of molecules and therefore to identify the structural features essential to the functioning of the system. These tools can help us understand the relationships between the structure and function of molecules and can be used to design and optimize drugs, study protein-ligand interactions, and in general retrieve a visual representation of proteins and their main structural features. They allow us to visualize and analyze the structure of molecules such as proteins, nucleic acids, and small organic molecules to a level of detail and customization that would be otherwise impossible to reach in a laboratory.Īs of today, using a computer it is possible to download thousands of protein structures from dedicated websites (e.g., Protein Data Bank (PDB)) and use programs to visualize them, rotate their structure, zoom on the atoms of interest, calculate distances, everything in few easy steps. ![]() Molecular visualization programs have become extremely valuable tools in many fields of science including computational chemistry and structural biology. ![]()
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