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The latest December 1999 Platon/System S can very easily allow the
generation and viewing of Fourier maps as part of the structure
solution and refinement process. Following is an example of
this.
(Click on the images to see higher resolution screen dumps) |
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Bring up and examine the structure in pluton. The part of the structure
we are interested is the hydrogens around O503, O504, N666. If the data is
good enough, these should show up in a difference Fourier contour map.
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Exit Pluton which should bring you back to the System S main screen.
On the top right of the screen, select OptionMenus to bring up the menu system with the Fourier Map Options.
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Select the Diff-Map option to bring up the following Fourier Map prompt screen.
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When prompted for the Point (Label or x,y,z) defining the map origin, use the keyboard to type in the atom label O503 When again prompted for the Point (Label or x,y,z) defining the map origin, use the keyboard to type in the atom label O504 When prompted for the third Point (Label or x,y,z), use the keyboard to type in the atom label N666 Systems S will then spend a little while generating the map which appears below. Two lobes near N666 and one lobe between O504 and O503 could be interpreted as Hydrogen positions.
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