Volume 1 Chapter 9 Initiating the Search Process
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When the first search hit is encountered the screen is cleared and a 2D/3D
display such as that shown below is generated.
Six units of information are presented in this display:
If the To 1D button in the LOGO area is selected then the current display is
replaced by the 1D display shown below.
- The LOGO area contains summary and control information:
- the CCDC logo
- the reference code of the current hit
- the number of hits which have been kept in the current search
- the ordinal number of the entry in the database
- the button To 1D which allows the user to select the 1D display
- the button To 2D which allows the user to select the 2D display
- the button To 3D which allows the user to select the 3D display
- The 2D chemical diagram is displayed in the top-right area.
If no 2D-chemical diagram is available for the entry the following statement is
No chemical diagram
- The 3D crystal diagram is displayed in the main drawing area.
By default a colour-coded stick diagram in minimum overlap view is shown.
If no 3D-crystal diagram is available for the entry the following statement is
No 3D Structure Diagram
- Menu commands are displayed below the 2D chemical diagram.
- A dialbox for manipulation of the 3D crystal diagram is displayed in
the bottom-right area.
This feature allows the user to rotate, translate and scale the 3D crystal
- For users using tektronix terminals The standard reference
information is displayed in
the dialogue area and is scrollable with the arrow keys on the keyboard:
Hexaoxa(22.214.171.124.2.1)(mp!2$)!2$cyclophane benzene clathrate
C40 H32 O6,C6 H6
J.Chem.Soc.,Perkin Trans.1, , 211,1989 //
The total standard reference items are:
If the search question contains tests involving items other than those above
then these items will be displayed as part of the hit information. For
example, if a search test involves *BCLASS then the basic class information
will be added to the reference information.
- reference code
- compound name
- compound name synonym
- qualifier phrase
- authors' names
- journal reference
Items specified by PRINT EXTRA are indicated by the appropriate search
keywords. For example, if you specify SPAC then the space group symbol will be
displayed as part of the hit information.
- Users of X-windows systems will see this information displayed in the
window in which they started the quest search and all this information can also
be found in the 1D display.
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Volume 1 Chapter 10 Display of Hits in Graphics QUEST 2D and 3D Menus.