spread_residue_wise#
- biotite.structure.spread_residue_wise(array, input_data)[source]#
Expand residue-wise data to atom-wise data.
Each value in the residue-wise input is assigned to all atoms of this residue:
output_data[i] = input_data[j], i is incremented from atom to atom, j is incremented every residue change.- Parameters:
- arrayAtomArray or AtomArrayStack
The atom array (stack) to determine the residues from.
- input_datandarray
The data to be spread. The length of axis=0 must be equal to the amount of different residue IDs in array.
- Returns:
- output_datandarray
Residue-wise spread input_data. Length is the same as array_length() of array.
Examples
Spread secondary structure annotation to every atom of a 20 residue peptide (with 304 atoms).
>>> sse = annotate_sse(atom_array) >>> print(len(sse)) 20 >>> print(sse) ['c' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c'] >>> atom_wise_sse = spread_residue_wise(atom_array, sse) >>> print(len(atom_wise_sse)) 304 >>> print(atom_wise_sse) ['c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'a' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c' 'c']