Which symmetry group should you trust in your protein complex?

When working with large protein assemblies, viral capsids, or nanostructures, modeling every atom individually becomes computationally expensive. Fortunately, many of these systems exhibit internal symmetry—a pattern that can be leveraged to simplify simulations. SAMSON’s Symmetry Detection app automatically finds symmetry…

Finding Charged Structural Groups in Large Molecular Systems

When working with large molecular systems, molecular modelers often need to isolate relevant substructures for visualization, editing, or simulation. One common task is identifying substructures with specific formal charges—whether to locate reactive sites, predict ion binding regions, or prepare input…

Create and Preview Molecular Animations in SAMSON with the Animator

Molecular modelers often need more than static visualizations to communicate complex structural changes, docking processes, or dynamic behaviors. Animations and interactive presentations can significantly enhance clarity, whether you’re prepping material for a talk or sharing insights with a broader audience.…

Choosing the Right Unit Cell Shape Can Save You CPU Time

When setting up molecular simulations, especially for solvated macromolecules, an often-overlooked yet crucial detail is the shape of the unit cell. If you’re a molecular modeler working with periodic boundary conditions (PBC), the choice of cell shape can make a…