Prequest: 2.1 Moving between Entries

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2.2 Viewing Entries

There are three areas of the main menu window that display all of the aspects for the current entry. The main area displays the 1D information (text and numerical information) by default. This can be changed by clicking on either of the two smaller display windows, which initially default to show the 2D chemical diagram, and the 3D structural diagram.

The 3D representation of the molecule can be manipulated using the 3D Control buttons. Manipulation does not require the 3D representation to be in the main window.

Molecule Rotation - there are 6 rotation buttons for the independent rotation about each of the three axes. The rotation increment is displayed above, in a text field. The value can be changed by the -/+ keys, which will increment the current value by 1.0 degree. Alternatively, the user can type directly into the field. Values between 0.0 degrees and 180.0 degrees are permitted.

Molecule Translation - the translation buttons are analogous to the rotation buttons. The translation increment is 0.1Å, with limits of 0.0 and 2.0Å.

Aspects of the 3D structural diagram can be changed using the options available in the 3D Display sub-menu. These include changing the labelling, the colour of the bonds and excluding specified atoms from the view.

2.3 On-screen editing

PreQuest features an on-screen editing function for the information visible in the 1D window. Simply select the point of insertion using the mouse and perform your edits. Selecting another field, or hitting the carriage-return key will write the edits that have just been made to the file. These edits can be undone iteratively (see section 2.9).

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PreQuest: 2.4 Open .