vmd.vmdnumpy.timestep

vmd.vmdnumpy.timestep()

Return a zero-copy reference to atomic coordinates

Parameters:
  • molid (int) – Molecule ID. Defaults to -1 (top molecule)
  • frame (int) – Frame to select. Defaults to -1 (current frame)
Returns:

(N x 3 float32 ndarray)

Reference to coordinates, where N is the

number of atoms in the molecule