Volume 2 Chapter 3 3D-Constrain Sub-menu SPHERE EXCLUSION

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SPHERE INCLUSION

Function

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

For a crystal fragment to be accepted as a hit at least one crystal atom must lie within this sphere.

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 EXCLUSION

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Volume 2 Chapter 3 3D-Constrain Sub-menu SUMMARY.