biotite.structure.AffineTransformation¶
- class biotite.structure.AffineTransformation(center_translation, rotation, target_translation)[source]¶
Bases:
object
An affine transformation, consisting of translations and a rotation.
- Parameters
- center_translationndarray, shape=(3,) or shape=(m,3), dtype=float
The translation vector for moving the centroid into the origin.
- rotationndarray, shape=(3,3) or shape=(m,3,3), dtype=float
The rotation matrix.
- target_translationndarray, shape=(m,3), dtype=float
The translation vector for moving the structure onto the fixed one.
- Attributes
- center_translation, rotation, target_translationndarray
Same as the parameters.
- apply(atoms)¶
Apply this transformation on the given structure.
- Parameters
- atomsAtomArray or AtomArrayStack or ndarray, shape(n,), dtype=float or ndarray, shape(m,n), dtype=float
The structure to apply the transformation on.
- Returns
- transformedAtomArray or AtomArrayStack or ndarray, shape(n,), dtype=float or ndarray, shape(m,n), dtype=float
A copy of the atoms structure, with transformations applied. Only coordinates are returned, if coordinates were given in atoms.
Gallery¶
Superimposition of two protein structures
Superimposition of two protein structures
Basic analysis of a MD simulation
Basic analysis of a MD simulation
Creation of an amino acid rotamer library
Creation of an amino acid rotamer library