rdtools.view.freq

Viewer for vibrational frequencies.

rdtools.view.freq.freq_viewer(xyz: str, frames: int = 10, amplitude: float = 1.0, **kwargs: Any) → view

Create a viewer for viewing frequency modes.

The function only accepts xyz string with dx, dy, dz properties appended. A typical line in the xyz file looks like "C 0. 0. 0. 0.1 0.2 0.0". This viewer accepts additional keyword arguments following the same way base_viewer is implemented.

Parameters:

• xyz (str) – The xyz string with dx, dy, dz properties.

• frames (int, optional) – Number of frames to be created. Defaults to 10.

• amplitude (float, optional) – amplitude of distortion. Defaults to 1.0.

• **kwargs (Any) – Additional keyword arguments to be passed to the viewer.

Returns:

py3Dmol.view – The molecule frequency viewer.