Volume 2 Chapter 2 2D-Constrain Sub-menu ALLBOND

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ALL-EXACT

Function

ALL-EXACT is used to specify the EXACT constraint for all atoms of the fragment.

Example

Thus all 4 nitrogen atoms have exactly 3 connections, excluding terminal H, and the TR atom has exactly 4 connections.

The ALL-EXACT option is useful when the fragment is large and, for example, we wish to search for an exact compound rather than a sub-structure.

It is often used in preparing a fragment for similarity searching.

If we change our mind, and wish to remove the ALL-EXACT constraint, then

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Volume 2 Chapter 2 2D-Constrain Sub-menu CHARGE.