In molecular modeling, clarity is key. Whether you’re preparing figures for publication, sharing interactive models, or simply analyzing a complex system, being able to label and annotate atoms, residues, or molecules is essential. However, many users of SAMSON—the integrative molecular…

If you’ve ever performed geometry optimization, you’ve likely faced the challenge of balancing speed and accuracy — especially when working with large structures or when your focus is on relaxing a system before a simulation. One of the lesser-known but…

Visualizing molecular structures clearly and distinctly is central to effective molecular modeling. Whether you’re representing different atom types, residues, domains, or simulation states, your ability to communicate data visually with accuracy and ease can make a significant difference. But here’s…

Color is more than just aesthetics. For molecular modelers, colorization is often key to revealing the underlying story of a structure. Whether you’re inspecting protein stability, analyzing charge distribution, or presenting a clean visual for publication, an effective use of…

When studying molecular mechanisms—such as ligand unbinding or chemical reactions—it’s often not enough to know just the starting and ending molecular structures. Molecular modelers need to understand the transition path a molecule follows between states, particularly through areas around the…

When exploring molecular systems, staying focused on the part of the system that matters most can be surprisingly difficult. Molecules twist, fold, and shift in complex choreography, and during an animation it’s easy to lose sight of the biologically or…

When preparing animations of molecular systems, one common challenge researchers face is how to manage visibility transitions without manually toggling the display of each component. Whether you are illustrating a protein domain suddenly becoming relevant in a binding event or…

Identifying the minimum energy path between two molecular conformations is a fundamental task in molecular modeling. Whether you’re studying ligand unbinding, conformational rearrangements, or molecular switching, knowing how molecules move from one state to another—the so-called transition path—is key. However,…