How to Smoothly Play Molecular Trajectories in SAMSON

Visualizing molecular dynamics or conformational changes often requires playing through a defined trajectory or a series of saved conformations. But if you’ve ever tried to animate a path manually or synchronize multiple structural transitions, you probably know how frustrating and error-prone it can be to align frames, avoid jerky transitions, or coordinate multiple paths.

This is where SAMSON’s Play path animation comes in. It offers a streamlined way to play one or several paths between keyframes—ideal for molecular dynamics, structural morphing, or comparing energy-minimized conformations.

What is a Path in SAMSON?

In SAMSON, a Path is a node that stores a molecular trajectory. Each snapshot or conformation along the path corresponds to a frame. This means you can load a saved trajectory (e.g., from simulations or transition calculations) and navigate it directly at the structural level.

Using the Play Path Animation

To start, select the path that you want to play. This could be a single path or multiple synchronized paths. Then, open the Animation panel in the Animator, and double-click on Play path. This adds an animation block to the timeline that automatically interpolates between the beginning and end frames of your selection.

Example: the Play path animation

The timing is defined by two keyframes, which represent the start and end points of the animation. You can easily drag these to adjust the animation’s duration or placement in your scene. This offers a fast and interactive way to show transitions without manual frame selection.

Dealing With Uneven Frame Counts

A common concern when playing a trajectory is matching the number of animation frames to the number of trajectory frames. What if your timeline has more (or fewer) frames than your path? In this case, SAMSON applies smoothing to interpolate between positions. This keeps transitions continuous, even when your animation timeline does not map 1-to-1 with the trajectory.

If you want to disable this smoothing—for example, for discrete-state transitions—you can do so in the Inspector. This level of control can be especially useful when visualizing stepwise conformational changes.

Fine-tuning with the Easing Curve

One advanced feature in animations is the Easing curve. This allows you to control how the animation progresses: linearly, accelerating at the start, decelerating at the end, or using custom timing functions. Subtle easing tweaks can make structural transitions feel more natural and intuitive during presentations.

The Play path animation options in the Inspector

Why It Matters

For molecular modelers, effective communication is essential—whether you’re demonstrating transition mechanisms, ligand docking pathways, or conformational sampling. The Play path animation in SAMSON addresses a frequent pain point: smooth, synchronized, and flexible visual playback without cumbersome frame-by-frame editing.

With just a few clicks, you can turn raw trajectory data into a fluid, interpretable animation that fits into your full scene. Whether you’re preparing a presentation, building an educational clip, or just exploring your system, this feature streamlines the workflow.

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. You can download SAMSON at https://www.samson-connect.net.

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