Author: OneAngstrom

Managing large and complex molecular modeling projects often turns into an organizational challenge. Structures pile up, data files scatter across folders, and keeping track of parts of your analysis becomes a time-consuming task. What if you could centralize everything—molecules, visual…

Many molecular modelers and researchers work on collaborative projects that require sharing documents, simulation jobs, and other valuable resources with team members or collaborators around the world. Managing this collaboration while preserving control over who sees or edits what can…

When visualizing dynamic molecular systems—whether it’s a protein-ligand interaction or a dramatic conformational change—one common frustration among molecular modelers is having to constantly adjust the camera to follow a region of interest. Losing track of the moving part you’re studying…

When working with molecular dynamics, modeling the transition pathway between two conformations—such as a ligand entering or exiting a binding pocket—is central to understanding molecular function. But here’s the catch: even when those conformations are relaxed local minima, the path…

A common challenge in molecular modeling is navigating complex macromolecular assemblies—especially when symmetry is involved. Many tools detect symmetry in biological structures, but what happens when more than one symmetry group is found? If you’re using SAMSON’s Symmetry Detection extension,…

When collaborating on molecular modeling projects, one quiet frustration for researchers is project portability—specifically, making sure nothing essential is left behind when sharing a molecular model with a colleague or switching from one computer to another. Whether you’re creating a…

After completing a protein docking calculation, molecular modelers often ask themselves: how reliable is this result? Which ligand pose should I consider most promising? How is the ligand interacting with the protein? If you’ve used the Hex Extension in SAMSON,…

If you’ve ever prepared molecular animations for presentations, publications, or teaching, you’ve probably faced a frustrating challenge: how do you control exactly when a molecule (or part of it) appears in an animation? Whether you’re explaining a reaction mechanism or…