Mastering Molecular Visualizations with Custom Visual Presets in SAMSON

For molecular modelers and researchers, achieving the ideal visualization of complex molecular systems can often feel daunting. Simplifying these intricate representations without losing clarity or precision is a common pain point. SAMSON, the integrative molecular design platform, tackles this effectively with its Visual Presets feature, a tool designed to streamline visualization workflows. Let’s dive into how you can utilize custom visual presets to create and save personalized, reusable styles for molecular visualizations.

What are Visual Presets?

Visual presets provide a quick way to apply multiple visual representations and color schemes simultaneously to complex molecular systems—saving time and effort. Default presets are readily available in SAMSON, but the platform also allows you to customize and create your own presets from scratch to suit your specific needs.

Creating Custom Visual Presets

Custom visual presets in SAMSON are highly versatile, enabling users to build tailored visual workflows. Here’s how it works:

1. Start from Existing Presets or Begin Fresh

To begin, navigate to Home > Visual preset > Create… or Visualization > Visual preset > Create…. You can modify an existing preset or click the add icon button to create a new one from scratch.

Add a new visual preset

2. Break Down Your Preset into Steps

Each visual preset is composed of steps, where you define:

  • A selection of nodes (e.g., “Receptor,” “Ligands,” or custom options using the Node Specification Language).
  • Optional actions, such as “Hide,” “Label atoms,” “Zoom on selection,” etc.
  • Optional visual models—like “Van der Waals,” “Ribbons,” or “Licorice”—applied to your selection.
  • Optional color schemes, such as “Per chain,” “Per occupancy,” or constant colors.

Click add icon to add a step and fine-tune these options.

Add a new step to the visual preset

3. Leverage Actions, Visual Models, and Colorization

Add actions by clicking on add icon in the Apply actions row. Customize visual models and colors by choosing from default palettes or creating your own through the Choose color palette… dialog.

Choose a color palette

4. Save and Reuse

Once satisfied, save your visual preset for future use by clicking on the Save visual preset button. These presets will load automatically whenever you launch SAMSON, ensuring consistency and speed in your visualizations.

Why Use Custom Visual Presets?

Custom visual presets allow you to:

  • Streamline visualization workflows for different molecular systems.
  • Ensure consistency in how structures are displayed for presentations or publications.
  • Quickly visualize data with tailored styles, reducing repetitive configuration steps.

Whether you’re analyzing protein-ligand interactions or presenting dynamic animations, customized visual presets grant you full control over your molecular representations.

To learn more, visit the full documentation page on Visual Presets in SAMSON.

Note: SAMSON and all SAMSON Extensions are free for non-commercial use.

Comments are closed.