match_structures

Pair chains, residues, ligands, and atoms of two structures of the same protein.

from proteinmotion import match_structures

Signature

match_structures(source, target, *, chains=None)

Parameters

Parameter	Default	Description
`source`	Required	First structure.
`target`	Required	Second structure.
`chains`keyword only	`None`	Source-to-target chain ID mapping; None pairs chains by ID and sequence, and identical copies by position.

Returns: StructureMatch

Example and output

Run this command from a repository checkout.

Code Render command

proteinmotion render examples/structure_morph.py HemoglobinMorph \
  -o hemoglobin-morph.mp4 --fps 60

Output Preview · 17.7 s · 60 fps

Hemoglobin from T to R

Deoxyhemoglobin (2DN2) morphs to oxyhemoglobin (2DN1, expanded to its tetramer), superposed on α1β1. α2β2 turns 14° in the image plane while O₂ appears at each heme. A heatmap shows Cα–Cα distances changing between the αβ dimers but not within them. The path illustrates the difference between the two structures.

Full source: HemoglobinMorph Download MP4