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

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MIN-CONNECTIONS

Function

MIN-CONNECTIONS is used to specify that an atom must have a minimum number of connected atoms, excluding terminal hydrogen atoms.

Examples

Ex. 1 Suppose we wish to search for transition metal complexes in which the metal atom is connected to at least 6 atoms, of which 4 must be N.

Suppose we have built the fragment:

The fragment is now:

Ex. 2 Suppose we have the fragment

(a) If we decide to change the mca specification from 6 to 5

The fragment is now:

(b) If we decide at this stage to remove the mca specification completely

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Volume 2 Chapter 2 2D-Constrain Sub-menu NO-CYCLIC-ROUTES.