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ALL-EXACT

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

Example

Suppose the fragment is:



• Select ALL-EXACT

  The fragment is now:

  

• (To switch off ALL-EXACT, simply re-select it)

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

• Select ALL-EXACT

  The fragment is now:

  

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