starling.structure.coordinates.create_ca_topology_from_coords

create_ca_topology_from_coords(sequence, coords)[source]

Creates a CA backbone topology from a protein sequence and 3D coordinates.

Parameters:

sequence (str) – Protein sequence as a string of amino acid single-letter codes.
coords (np.ndarray) – 3D coordinates for each CA atom.

Returns:

MDTraj trajectory object containing the CA backbone topology and coordinates.

Return type:

md.Trajectory