Calculate Dipole Moment

Category Paths

Follow one of these paths in the Orion user interface, to find the floe.

• Role-based/Computational Chemist

• Solution-based/Hit to Lead/Properties

• Task-based/Ligand Posing & Analysis

• Product-based/QUACPAC

Description

Calculate Dipole Moment of Molecules

Promoted Parameters

Title in user interface (promoted name)

Dipole Moment Field Settings

Dipole Moment Field (dipole_moment): The tag name of the dipole moment field.

• Required

• Type: field_parameter::float

• Default: Dipole Moment

Dataset fields to add/update. (fields_to_update): Toggles which dataset fields will be added/updated. Fields are specified by their respective parameters promoted names (or names otherwise) in the choices attribute of this parameter.

• Required

• Type: string

• Default: [‘dipole_moment’]

• Choices: [‘dipole_moment’]