CONTOUR - OMIT From Structure Factor Calc

OMIT ATOMS FROM STRUCTURE FACTOR CALCULATIONS

For various reasons it might be advantageous to omit explicitly mentioned atoms present in the input data prior to a (differerence) Fourier map calculation.

This function can be accomplished by clicking on 'OMITFromSFC'. Following clicks on atoms (in the asymmetric) unit will mark them for omission (though their coordinates will be retained for display purposes). The sequence of to be omitted atoms is completed by clicking on OMITFromSFC again.

A useful application might be the corrobation op H-atom positions (e.g. Methyl moieties).

MOLECULAR GRAPHICS TOOLS PLATON HOMEPAGE
10-mar-2000 A.L.Spek