Volume 2 Chapter 2 2D-Constrain Sub-menu Display of Atom and Bond Pproperies

Back to Table of Contents

EXACT

Function

EXACT is used to specify that an atom must have an exact number of connected atoms, excluding terminal hydrogen atoms.

Examples

Ex. 1 Suppose we wish to search for transition metal complexes having exactly 4 nitrogen atoms connected to the metal.

Suppose we have built the fragment:

The fragment is now:

In this example the starting fragment showed TR with 4 connections ie. mca = 4. Since we wish to set EXACT to 4 we can use EXACT directly.

If we change our mind and wish to remove the EXACT constraint then:

The fragment is now:

Ex. 2 Suppose we wish to search for transition metal complexes having exactly 6 atoms connected to the metal and of these 4 must be N.

Suppose we have built the fragment:

The fragment is now:

The fragment is now:

Back to Table of Contents

Volume 2 Chapter 2 2D-Constrain Sub-menu GENERATE-HYDS.