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H-NORMALIZE

H-NORMALIZE allows the user to reset the lengths of bonds to terminal hydrogen atoms, to either a default or a user-specified value.

This command is not available in the Basic QUEST software.

Graphics QUEST3D Menu-Based Procedure

Ex.1 To set all Os-H distances to be 1.80 Å, as well as adding the default settings for C, N and O:

• Select H-NORMALIZE in the SEARCH menu.

• Enter element symbol and el-H distance in Angstroms separated
  by a comma or space. Press <RETURN> to accept the C,N,O mean
  neutron defaults of 1.083, 1.009, 0.983 respectively.
  Enter the word LIST to print or NONE to cancel all previous settings.

• Type Os 1.8

• Normalized el-H distances ( Angstroms ) are:
  Os   1.8000

• Select H-NORMALIZE in the SEARCH menu.

• Enter element symbol and el-H distance in Angstroms separated
  by a comma or space. Press <RETURN> to accept the C,N,O mean
  neutron defaults of 1.083, 1.009, 0.983 respectively.
  Enter the word LIST to print or NONE to cancel all previous settings.

• Press <RETURN>

•  C    1.0830 N    1.0090 O    0.9830 Os   1.8000

Graphics QUEST3D Alphanumeric Procedure

The HNORM command is used to specify the required lengths for bonds to terminal hydrogen atoms.

Ex.2 To set all Cl-H distances to be 1.06 Å:

• Type HNORM CL 1.06

• Normalized el-H distances ( Angstroms ) are:
  C    1.0830 Cl   1.0600 N    1.0090 O    0.9830

HNORM alone resets the C, N and O values to their defaults of 1.083, 1.009 and 0.983 Å respectively.

Remarks

Successive H-NORMALIZations are cumulative.

Coordinates used in 3D searches, to draw the crystal plot in 3D and 2D/3D diagram output and those saved by the MODEL command will be affected by normalization.

Coordinates saved in FDAT or written to the journal file via the COORDS or ORTEP buttons will NOT have their hydrogen atoms 'normalized'.

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