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*CREMER

*CREMER is used to define the puckering parameters of n-membered rings (n>3) in terms of the (n-3) amplitudes and phase angles of pseudorotation, as described by Cremer and Pople, J.Amer.Chem.Soc. 97, 1354-1358 (1975).

Example

• Select *CREMER

• Select or type items for *CREMER. If necessary reselect *CREMER
  to end input.
  Select CANCEL to cancel command.

• Select atom number 1

• 1 appears in the dialogue area

• Select in turn atoms 2 3 4 5 6

  Select *CREMER

• In the dialogue area we now have:

  DEFINE, *CREME,
  Input *CREMER parameter name no.  1

• Type Q2 <RETURN>

• In the dialogue area we now have:

  DEFINE, *CREME , Q2 ,
  Input *CREMER parameter name no.  2

• Type PHI2 <RETURN>

• In the dialogue area we now have:

  DEFINE, *CREME , Q2 ,PHI2 ,
  Input *CREMER parameter name no.  3

• Type Q3 <RETURN>

• In the summary area we now have:

  *CREME  Q2  PHI2  Q3  1  2  3  4  5  6

  This line is displayed in green to indicate that it is a DEFINE command.

  In the dialogue area we now have the "home" prompt:

  Search for ALL crystal fragments
  OVERLAP of crystal fragments permitted
  Select a menu command or TO-BUILD to return to the BUILD menu.

  The resultant command in the instruction document is:

  DEFINE  *CREME  Q2  PHI2  Q3  1  2  3  4  5  6

DEFINE *ALSUN

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Volume 2 Chapter 3 3D-Constrain Sub-menu *LP2.