Prequest: 2.17 Check

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2.18 3D Check

This menu allows the checking and editing of the 3D co-ordinates and connectivity. It is based on the Pluto program (CSD Manuals, Vol 4, Chapter 10) but contains extra editing features designed to cope with the extensive checking required at the CCDC for creation of the main CSD file. It is unlikely that most users will need to use many of these features, however a brief description of their use now follows.

On-line Help is available for each button.

The range of Display Functions available include:

Crystallographic Properties relates to the set of operations which can be performed on the structure based on the inherent geometrical and spacial information available.

The Editing and Checking Functions available allow the user to perform a number of corrective operations. The primary objective is to get the structure to pass all of the PreQuest checking routines, and also for the crystallographic connectivity to match that given in the 2D chemical diagram.

Finally, there are a number of 3D Controls which can be used to manipulate the view of the 3D crystallographic structure in the main display window

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PreQuest: 2.19 Preferences .