orient()

Rotate a geometry by hand in the browser and get the rotation.

Usage

Source

orient(
    geo,
    *,
    port=0,
)

This opens the geometry in py3Dmol in a web browser. Rotate the molecule with the mouse, then click “Done”. The view matches render: both look down the z axis with x to the right and y up.

The rotation is also printed as code, to paste into a drawing script so that it reproduces the orientation without the viewer.

Parameters

geo: Geometry

Geometry.

port: int = 0

Port for the local server behind the page. The default (0) picks a free port.

Returns

Rotation

The rotation, to apply with automol.geom.rotate(geo, rot).