How to Visualize Molecular Trajectories Smoothly with the Play Path Animation

When working on molecular models, especially when exploring conformational changes, reaction pathways, or molecular dynamics simulations, it becomes essential to communicate these changes over time with clarity. This is where animations come in—not only as a presentation tool, but also to gain visual insights. In SAMSON, the Play path animation makes it easier to visualize molecular trajectories with control and precision.

In many molecular modeling tools, it’s not always straightforward to go from raw path data to a smooth, repeatable, visually compelling animation. Sometimes it’s choppy. Sometimes the sequence feels rushed or inconsistent. The Play path animation in SAMSON addresses this by allowing users to finely control how a path (or several) is animated between two frames—and even interpolate when needed.

What is a Path in SAMSON?

A path node in SAMSON stores a molecular trajectory—this could be anything from a conformational change to a calculated transition path. Being able to animate this path helps molecular modelers not just present, but also better understand their systems in motion.

The Play Path Animation Explained

The Play path animation plays one or more paths between two keyframes in an animation sequence. Each path can represent a different molecular movement, and when multiple paths are selected, they are synchronized. This is especially helpful for analyzing cooperative changes in molecular complexes or docking/unbinding processes.

Example: the Play path animation

If the number of animation frames is different from the number of frames in the path, SAMSON automatically smooths the trajectory to avoid visual jumps or irregular pacing. This smoothing ensures that the motion appears continuous and more lifelike. If needed, users can disable the smoothing in the Inspector and retain the original frame-by-frame transitions.

How to Add and Control the Animation

To start using the Play path animation in SAMSON:

  1. Select the Path object(s) you want to animate.
  2. In the Animation panel of the Animator, double-click “Play path”.
  3. This creates an animation between two keyframes. Simply move these keyframes to change the duration or starting time.

Each animation’s interpolation can be adjusted with an easing curve, offering control over acceleration and deceleration between frames—useful for emphasizing parts of the trajectory.

The Play path animation options in the Inspector

Common Use Case: Cycle Between Conformations

Say you’re studying a molecule that flips between two conformational states. By setting the keyframes appropriately on a path between these states, Play path lets you cycle through the configurations smoothly. This is ideal for both presentations and publications, giving audiences an intuitive grasp of what’s happening at the molecular level.

If a reversed version is needed, consider also exploring the Play reverse path animation, which works in tandem with Play path.

To explore more about Play path and other animation options, visit the official 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 get SAMSON at https://www.samson-connect.net

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