Mastering Local Move Editor for Precise Molecular Adjustments in SAMSON

Molecular modeling often requires fine-tuned adjustments of atomic or molecular structures. Being precise in your movements while maintaining efficiency can seem daunting, especially when working on intricate molecular landscapes. But with SAMSON’s Local Move Editor, you have a powerful tool to handle these challenges like a pro.

Why use the Local Move Editor?

The Local Move Editor in SAMSON allows you to translate and rotate objects based on their principal axes. This ensures you can control molecular motions with high accuracy, whether you’re repositioning a structural node or adjusting angles for simulations. It comes with an intuitive interface designed to cater to both new and experienced users.

Key Features of the Local Move Editor

  • Central Translation Widget: Move objects in the plane of the camera with ease.
  • Side Translation Widgets: Perform translations along the principal axes of your selected objects.
  • Side Rotation Widgets: Rotate objects around principal axes for precise orientation adjustments.
  • Trackball Widget: Achieve free rotation on a spherical plane for full control over 3D orientation.

Below, we’ll guide you step-by-step on these features to get the most out of this editor.

Step-by-Step Guide: Translating and Rotating Molecules

1. Translate in the Camera Plane

Select the structure or atoms you want to move. Using the central translation widget (shaped like a cross with arrows):

  1. Click and hold the central widget.
  2. Drag it in your desired direction to translate the selection smoothly across the camera plane.
  3. If you make a mistake, cancel by clicking Esc. The movement is undoable through Edit > Undo.

Translating atoms in the camera plane using the local move editor

2. Enable Translational Snapping

Snapping ensures your translations align perfectly with specific increments (e.g., 0.5Å). Enable this feature in the viewport’s top-left corner, set your desired increment, and execute the move.

Translating atoms with snapping in the camera plane using the local move editor

3. Rotate Around an Axis

Need to rotate part of your structure? The side rotation widget (curved arrow) allows controlled rotations:

  1. Press the left mouse button on a rotation widget.
  2. Rotate in the desired direction. You’ll see the angle updated in real-time.
  3. To discard a rotation, hit Esc.

Rotating around an axis

4. Utilize the Trackball for Free Rotations

Achieve freedom in movement by using the trackball widget. This spherical control lets you rotate without constraints, perfect for adjusting non-aligned structures:

  1. Click and hold the trackball.
  2. Rotate in any direction by dragging smoothly.
  3. Release to set the new orientation.

Rotating on a sphere

Final Thoughts

With the Local Move Editor, you can manage molecules and atoms more efficiently, making simulations and structural adjustments much more convenient and precise. Remember, all translations and rotations are undoable, giving you the confidence to experiment freely.

Ready to explore further? Visit SAMSON’s official Moving Objects documentation to learn even more techniques and tools.

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

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