Positioning

structure.pdb.positioning.center_structure(universe)

structure.pdb.positioning.cli_center_structure()

Command-line interface for centering structure.

structure.pdb.positioning.run_center_structure(pdb_path, output_path=None)

Center structure by it's center of mass.

PARAMETER	DESCRIPTION
pdb_path	Path to PDB file. TYPE: str
output_path	Path to save new PDB file. If None, then no file is written. TYPE: str | None DEFAULT: None

RETURNS	DESCRIPTION
Universe	Universe after centering.