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