AddOnSphere (Node)

Add molecules to a box, positioning them on the surface of a sphere
Context Generation
Name Required? No
Branches

Overview

The AddOnSphere node creates molecule copies of a target species in a box, placing them on the surface of a sphere of specified size. It is therefore useful in the creation of assembled structures such as micelles.

Periodic species cannot be used by this node, nor can CoordinateSets .

Description

Aside from the geometric constraints placed on the positioning of the molecules the behaviour of the node is similar to the {{> node “Add” >}}. Options specific to this node are detailed below. Otherwise the behaviour is identical to the Add node (see its documentation for explanations of other parameters).

Options

Target

Keyword Arguments Default Description
SpeciesSite name

Required

Target species to add along with the reference site for positional purposes. Note that the site must be unique in the parent species (i.e. it cannot represent a number of dynamic sites) and if orientation is required it must also have axes defined.
Radius expr 5.0 Radius of the sphere upon which to place molecules.
Distributions PointDistributionStyle Fibonacci Method of point distribution on the sphere.
Variance expr 0.0 Random variance to apply to generated positions.
Orient bool false Whether to orient placed molecules along the surface tangent, using a site axis as a reference.
Axis Axis X Axis to use if orienting site.
Last modified November 19, 2024: feat: Add on sphere (#2011) (84bd77cda)