bis_protein_structure.SOLVENTACC.create_structure_from_feature¶

bis_protein_structure.SOLVENTACC.create_structure_from_feature(sequence, all_atom_positions, all_atom_mask, structure_id='pred', model_id=0, chain_id='A')[source]¶

Create a Biopython Structure object from sequence and atomic features.

Parameters:

sequence (str) – The amino acid sequence.
all_atom_positions (np.ndarray) – Array of shape (n_residues, n_atoms, 3) containing atom coordinates.
all_atom_mask (np.ndarray) – Array of shape (n_residues, n_atoms) indicating which atoms are present.
structure_id (str, optional) – The ID of the structure (default is “pred”).
model_id (int, optional) – The model ID (default is 0).
chain_id (str, optional) – The chain ID (default is “A”).

Returns:

A Biopython Structure object representing the protein.

Return type:

Structure