openforcefield.utils.structure.combinePositions¶

openforcefield.utils.structure.combinePositions(proteinPositions, molPositions)[source]¶

Loops through the positions from the ParmEd structures of the protein and ligand, divides by unit.angstroms which will ensure both positions arrays are in the same units.

Parameters:	proteinPositions : list of 3-element Quantity tuples. Positions list taken directly from the protein Structure. molPositions : list of 3-element Quantity tuples. Positions list taken directly from the molecule Structure.
Returns:	positions : list of 3-element Quantity tuples. ex. unit.Quantity(positions, positions_unit) Combined positions of the protein and molecule Structures.