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pylipid.util.write_PDB

pylipid.util.write_PDB(prot_obj, bfactor, pdb_fn, resi_offset=0)

Write interaction data in bfactor columns.

Parameters

• prot_obj (mdtraj.Trajectory Object) – A mdtraj.Trajectory object of protein coordinates and topology information.

• bfactor (array_like) – A list of b factor values for each protein residues.

• pdb_fn (str) – Filename of the PDB coordinate file.

• resi_offset (int, optional, default=0) – Shift the residue index.