BallStick

DESCRIPTION

This module generates a ball and stick representation of a molecule represented in a pyramid. The bonds are represented as cylinders and the atoms as spheres. If the radius is greater than 0.5 then the bonds are not generated.

The optional colormap can be used to color the spheres. If it is omitted, the values used are as follows:

 ATOM		NUMBER		COLOR
 Hydrogen	1		pale white
 Carbon		6		pale green
 Nitrogen	7		blue
 Oxygen		8		red
 Fluorine	9		green
 Phosphorus	15		violet
 Sulfur		16		yellow
 Chlorine	17		green
 Bromine	35		gray
 

INPUTS

Port: Molecule
Type: Pyramid
Constraints: n-layer.
optional-baseLat.
n-D compression.
n-compression type.
The source molecule.

Port: Colormap
Type: Lattice
Optional: This port is optional
Constraints: 1-D.
4-vector.
A colormap to use to color the atoms. The value from the colormap is the "color" data variable from the chemistry pyramid. The ReadPDB module fills this value with the atomic number of the atom.

WIDGETS

Port: Radius
Type: Dial
Ball radius normalized to Van der Waals radius.

Port: Complexity
Type: Slider
Complexity (or resolution) of spheres and cylinders. 0 is lowest complexity, which results in a crude representation of the geometry that renders quickly; increasing the complexity gives a higher quality representation.

OUTPUTS

Port: Output
Type: Geometry
Sphere and Cylinder geometry.

PROBLEMS

SEE ALSO

ReadPDB Ball AtomicSurf Render
[ Documentation Home ]
© The Numerical Algorithms Group Ltd, Oxford UK. 1996