Animating Molecular Transformations Without Scripting: A Guide for Modelers

Creating animations that clearly illustrate molecular transformations is often a challenge for modelers and presenters alike. Many platforms require scripting or coding, which can be a steep barrier for users who are more focused on their scientific models than on programming. That’s where SAMSON’s Move atoms animation comes into play, offering a simple visual way to create transformations without coding.

With the Move atoms animation, you can set up keyframes and interpolate atomic positions smoothly through time—excellent for visualizing structural changes, reaction pathways, or conformational transitions. This feature is especially useful for presentations, recorded tutorials, or educational resources.

What You Can Do Without Coding

The most remarkable aspect of the Move atoms feature is that it allows you to:

  • Manually position atoms across time points
  • Define transformations through intuitive GUI-based tools
  • Quickly set keyframes to control movement and transitions
  • Control interpolation using easing parameters

This gives you full control over the visual storytelling of molecular rearrangements without writing a single line of script.

Step-by-Step: Building Your First Animation

Here is how it works:

  1. Select the atoms you want to animate.
  2. Add the Move atoms animation from the Animation panel inside the Animator. This automatically adds a starting keyframe.
  3. Move to a different frame in the track, position the atoms where you want them next using controllers or transformation tools, and a new keyframe is generated.
  4. Refine using easing curves and smoothing options to achieve a natural flow in the movement.

Add keyframe

Mixing in Advanced Controls

While the Move atoms controllers are handy, sometimes you may want to use specific editors like the Twister or Move editors. Simply hide the Move atoms controllers via the Document view, apply transformations using your preferred editor, and set new keyframes based on the changed positions.

Move atoms and twist

This layered control allows for complex animations: imagine showing a nanotube rotation followed by a molecule twisting into a binding pocket—all visually, with no programming required.

Control Interpolation: Make It Look Right

The Inspector gives access to properties such as the easing curve. You can switch on or off smoothing to better reflect the pace and nature of your transformation. For instance, a transition in a reaction mechanism might benefit from ease-in/ease-out curves to better suggest energy variations.

The Move animation options in the Inspector

Use Cases That Stand Out

Examples from the community on SAMSON Connect include animations of nanotube dynamics, which clearly illustrate the capability of Move atoms in creating smooth and informative molecular animations:

Each offers ideas on how you can create clear, engaging visualizations of complex 3D systems.

If you’re involved in molecular modeling, presentations, or education, the ability to animate your structures simply and intuitively can make a big difference in communicating your results.

To learn more, visit the original documentation here: Move atoms animation – SAMSON Documentation

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

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