mbuild_polybuild.aa_functional_groups.mptb.MPTB.update_coordinates

MPTB.update_coordinates(filename, update_port_locations=True)

Update the coordinates of this Compound from a file.

Parameters:

• filename (str) – Name of file from which to load coordinates. Supported file types are the same as those supported by load()

• update_port_locations (bool, optional, default=True) – Update the locations of Ports so that they are shifted along with their anchor particles. Note: This conserves the location of Ports with respect to the anchor Particle, but does not conserve the orientation of Ports with respect to the molecule as a whole.

See also

load

Load coordinates from a file