Volume 2 Chapter 3 3D-Constrain Sub-menu SORT

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SPHERE EXCLUSION

Function

EXCLUSION is used to specify an exclusion sphere in terms of its centre and its radius (in Å).

If any crystal atom lies within this sphere then the crystal fragment will be rejected and not considered as a hit.

The centre of the sphere can be

either

a centroid already set up
or
a dummy point already set up

Example

Suppose we have already set up X1 as the centroid of 3,10,15,22

If an atom of the fragment, for example atom 15, is selected as the centre of the sphere then after typing the radius the following error message is reported:

Related Command

SPHERE INCLUSION

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Volume 2 Chapter 3 3D-Constrain Sub-menu SPHERE INCLUSION.