Synchronizing Trajectories: A Better Way to Play Molecular Paths in SAMSON

When working with molecular systems that involve flexible conformations, dynamics, or simulations, visualizing movements across trajectory frames can quickly become unwieldy. Molecular modelers often need to revisit and align transitions—whether from different simulations, conformational states, or interpolation paths—to better understand mechanisms like binding, folding, or reaction coordinates.

This is where SAMSON’s Play path animation becomes a useful tool. It allows you to easily animate movement between two frames using one or multiple path nodes, typically used to represent molecular trajectories.

Why This Matters

Let’s say you’ve generated a trajectory of a protein-ligand interaction and now want to communicate how the ligand docks, moves, or unbinds across the simulation. Or maybe you’re comparing two slightly different trajectories—perhaps from two different mutants—and you’d like to animate them side by side for a clear visual comparison. Synchronizing these paths for animation could otherwise be a huge hassle, especially if the paths differ in length.

The Play path animation feature solves this pain by letting you synchronize these paths effortlessly. When you select multiple paths, SAMSON automatically synchronizes them, ensuring a coherent, aligned animation. And if paths have different frame lengths? SAMSON smooths the animation by default, so you don’t need to manually interpolate—or you can simply disable smoothing in the Inspector for a frame-by-frame match.

How It Works

1. Choose one or more path nodes in your document. These nodes store trajectory information, whether calculated or imported.
2. In the Animation panel of the Animator workspace, double-click on Play path.
3. The entire trajectory will be played between two keyframes on the timeline.
4. Move keyframes as needed to adjust speed or timing.

Example: the Play path animation

Customization Options

You can adjust how the parameter transitions occur using SAMSON’s Easing curve, which alters frame interpolation. Linear transitions can be switched to ease-in or ease-out curves, adding polish to presentations or videos. This can be particularly handy when you want to emphasize a conformational change slowly emerging or accelerating toward a structural rearrangement.

The Play path animation options in the Inspector

Final Thoughts

For researchers and students aiming to communicate molecular events more effectively, the Play path animation feature offers an approachable way to build synchronized transition visuals without having to do the heavy lifting manually. Whether you’re making a talk, a publication graphic, or just trying to gain insights from your data, mastering this simple tool could save you time and improve clarity.

To learn more, visit the full documentation page: https://documentation.samson-connect.net/users/latest/animations/play-path/

SAMSON and all SAMSON Extensions are free for non-commercial use. Get SAMSON at https://www.samson-connect.net.

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