One of the most common challenges in molecular modeling is reviewing and presenting dynamic changes across different conformations or simulations. Whether you’re studying protein folding, ligand docking, or large-scale molecular motions, being able to visualize changes smoothly over time is essential. This is where the Play path animation in SAMSON comes in handy.
The Play path animation plays back one or more paths—trajectories defined between keyframes in a simulation. These paths can represent anything from a molecular dynamics (MD) simulation to a defined conformational change. What makes this tool particularly useful for molecular modelers is its ability to synchronize multiple paths, allowing for a clear visualization of how different parts of a molecule (or even different molecules) behave in relation to one another.
Why path synchronization matters
In collaborative environments or when preparing materials for presentations and publications, it’s essential to ensure that comparative trajectories are shown in sync. Without synchronization, animations may become confusing, making it harder to analyze or communicate findings. With Play path, when multiple paths are selected and animated together, they are automatically synchronized—helping avoid misaligned timelines and visual artifacts.
How to use Play path
Here’s a simple way to get started:
- Select the Path node in SAMSON that contains the trajectory or conformational changes you want to visualize.
- From the Animation panel in the Animator, double-click the Play path animation effect.
- Two keyframes will be created automatically; move these as needed on the timeline to control the playback duration.
Once applied, the Play path animation will interpolate motion between the two frames. If your animation length doesn’t match the path length, SAMSON smooths the motion by default. This ensures graceful transitions, but you can switch off the smoothing effect in the Inspector if you prefer a frame-by-frame reproduction.
Control playback behavior
Another feature to enhance your trajectory animations is the Easing curve. If you want the motion to begin slowly, speed up, and then slow down again (e.g., to mirror physical deceleration), adjusting the easing curve in the Inspector can help. This fine-tuning lets you simulate more lifelike or more analytically useful playback sequences, without editing the actual data.
When to use Play path
Here are a few examples of when Play path could add value to your workflow:
- Visualizing and comparing complete simulation runs as animations
- Demonstrating conformational switching in presentations
- Synchronizing movement across multiple molecules to analyze interactions
- Creating visual materials for publications or reports
By simplifying the animation process while providing advanced control, the Play path animation strikes a balance between usability and depth, helping molecular modelers communicate structural dynamics more effectively.
To learn more about the Play path animation feature, visit the full documentation page here: 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.