A Clearer Way to Manage Cloud Simulations in SAMSON

Managing molecular simulations across local and cloud environments can be challenging. Files scattered between machines, incomplete calculations, and difficulty tracking progress are common issues many molecular modelers face. Fortunately, SAMSON’s Job Manager offers a unified interface to address these concerns.…

Exporting Atom Trajectories Along Protein Transition Paths

Protein conformational changes are at the heart of many essential biological processes, but capturing the motion between two known conformations can be challenging—especially when you need to analyze or reuse specific atom trajectories for downstream tasks like simulation analysis, machine…

Easily Filter Labels by Visibility in SAMSON’s NSL

When navigating complex molecular models in SAMSON, one often has to deal with different types of nodes—atoms, bonds, groups, and labels. Labels can clutter the scene or disappear at unexpected times, making it difficult to focus on the information you…

What to Do When You Have Conformations, But Not a Path?

If you’re working with molecular systems and want to explore how a system moves between two known structures—like a bound and unbound conformation—there’s a good chance you’ve considered using the Nudged Elastic Band (NEB) method. It’s a powerful tool to…