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’]