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

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GENERATE-HYDS

Function

GENERATE-HYDS is used to assign terminal hydrogen atoms to all carbon atoms in the fragment which do not already carry terminal hydrogen atoms.

If the valency of a carbon atom, as defined by the fragment, is less than 4 then this command will add hydrogen atoms so that the valency is raised to 4.

Example

Suppose we have built the fragment:

The fragment is now:

In the above example the N and O atoms are flagged in red. If we wished to assign H atoms to either of these then we would do so using the HYDROGENS command.

This command is often used when constructing an exact search structure to be submitted for an identity search or a similarity search.

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