deformation_view
Visualize residue displacement between two conformational states by coloring a model and drawing arrows; optionally color arrows by half-set uncertainty.
Instructions
Colour and arrow a model by how far each residue moved between two states.
This is the well-supported tool in the tier. A 41-submission blind challenge found the molecular motions these methods recover resemble both each other and the ground truth; it was relative populations that fell apart. So the arrows mean: density moved this way. They do not mean: this fraction of particles moved this way, and no population can be read out of them.
Refuses when the two states differ in atom count — atoms cannot be paired across them, so a displacement field would be meaningless rather than approximate.
Where a method estimates deformation on independent half-sets, pass that table and the arrows are coloured by the disagreement. Without it every arrow is drawn with identical confidence and they do not have identical confidence, which the report says rather than leaving the picture to imply otherwise.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| arrows | No | Draw CGO arrows from each residue's start to its end position | |
| as_putty | No | Also scale cartoon tube width by displacement | |
| obj_name | Yes | A multi-state object whose states are conformations | |
| end_state | No | The state to measure displacement to (defaults to the last) | |
| max_arrows | No | Ceiling on arrows drawn; anything dropped is reported | |
| arrow_scale | No | Multiply arrow length; above 1.0 this is an exaggeration and is labelled as one | |
| start_state | No | The state to measure displacement from | |
| uncertainty_path | No | Path to a 'chain resi value' table of half-set uncertainty; colours the arrows when supplied | |
| preserve_bfactors | No | Stash the original B-factors before overwriting them (default True) |
Output Schema
| Name | Required | Description | Default |
|---|---|---|---|
| result | Yes |