Scat to Volume

Description

Convert the molecule to an uniform volume in which sites occupied by atoms are are represented as spheres of points. Each point has value corresponding to the charge atom value.

Then the resulting volume is volume rendered by the standard AVS/Express volume_render module.

Input Ports

in MolecularDataType Molecular data.
start int Loop start value of the sequence of positions.
end int Loop end value of the sequence of positions.
increment int Loop increment value for the sequence.
step int Loop current step value.

Parameters

Sphere radius numeric field The radius of the spheres used to represent atoms (it is equal for every atom).
Box resolution numeric field The side of each cell of the resulting volume.
use manual limits toggle For the resulting volume use the limits entered below. If not set the volume limits are computed by the module and show in the fields below.
X, Y, Z min numeric fields Lower coordinates values for the volume.
X, Y, Z max numeric fields Upper coordinates values for the volume.

Output Ports

out DefaultObject The renderable version of the volume plus the volume bounds.

See also