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MIN-CONNECTIONS

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:

• Select MIN-CONNECTIONS

• Type minimum number of NON-H connected atoms.
  (Press <RETURN> to mean "Unspecified")

• Type 6 <R>

  6 appears in the MIN-CONNECTIONS box.

• Move the cursor over the required ATOM and click a BUTTON.
  (Select another command to end MIN-CONNECTIONS)

• Select TR atom

Ex. 2 Suppose we have the fragment

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

• Select MIN-CONNECTIONS

• Type minimum number of NON-H connected atoms.
  (Press <RETURN> to mean "Unspecified")

• Type 5 <R>

  5 appears in the MIN-CONNECTIONS box.

• Move the cursor over the required ATOM and click a BUTTON.
  (Select another command to end MIN-CONNECTIONS)

• Select TR atom

The fragment is now:

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

• Select MIN-CONNECTIONS

• Type minimum number of NON-H connected atoms.
  (Press <RETURN> to mean "Unspecified")

• Press <R>

  Unsp. appears in the MIN-CONNECTIONS box.

• Move the cursor over the required ATOM and click a BUTTON.
  (Select another command to end MIN-CONNECTIONS)

• Select TR atom

  The fragment is now:

  

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