Last modified: 17-JUL-96
The atomic radii are applicable for molecular images and molecular envelope generations.
SET RADII SELECT ... END * real INITIAL (0.0) VdW CHARGE CONSTANT real OVERLAP real real EXIT
To a given selection VdW, CHARGE or nonnegative real value RADII can be set. EXIT should be used to return back to
... CONSTANT real
Sets a CONSTANT radius value to all selected atoms.
... OVERALP real real
Using the OVERLAP option it is possible to avoid overlap of molecular envelopes between two specified SELECTIONS. The original molecule and its crystal or local SYMMETRY mates. The first real specifies the minimal radius and the second real the maximal atomic radius. Each atom from the first selection that is further than double maximal radius away from any atom from the second selection obtains the maximal radius. The atoms that are closer than that obtain half of the closest interatomic distance. When the distance is shorter than minimal radius, atomic radii are set to 0.0.