Spartan 5.1 User's Guide

Chapter 10: The Help Menu

This section reviews on-line assistance available under the Help menu.

Clicking on Help results in display of the following menu:

Use of the Mouse
Keystroke Equivalents

Ab Initio Options
Density Functional Options
Semi-Empirical Options
Mechanics Options
Properties Options
Graphics Options
Conformer Options

Available Elements

(Keystroke equivalents are given by the underlined letter in the menu entry.)

Individual entries are selected by clicking, and each results in display of a dialog, which contains the requested help information. It can either be scrolled in the usual manner or paged by clicking on Page Up and Page Down. The top and bottom of the output file may quickly be reached by clicking on Top and Bottom, respectively. The dialog may be exited by clicking on OK.


Section 10.1: Use of the Mouse

Describes the use of the three-button mouse both for molecule manipulations (translation, rotation and zooming) and for the picking of atoms, bonds and molecules as well as menus and dialog items.


Section 10.2: Keystroke Equivalents

Lists available keystroke equivalents to menu selections.


Section 10.3: Ab Initio Options

Lists options available for control of ab initio molecular orbital calculations.


Section 10.4: Density Functional Options

Lists options available for control of density functional calculations.


Section 10.5: Semi-Empirical Options

Lists options available for control of semi-empirical molecular orbital calculations.


Section 10.6: Mechanics Options

Lists options available for the control of molecular mechanics calculations.


Section 10.7: Properties Options

Lists options available for generation of properties following semi-empirical or ab initio molecular orbital calculations, density functional calculations or molecular mechanics calculations.


Section 10.8: Graphics Options

Lists options available for control of generation of graphical surfaces and volumes based on semi-empirical or ab initio molecular orbital calculations or density functional calculations.


Section 10.9: Conformer Options

Lists options available for the control of conformational searching. These apply to molecular mechanics, semi-empirical and ab initio molecular orbital calculations and density functional calculations.


Section 10.10: Available Elements

Lists elements for which particular ab initio and density functional basis sets are available and for which particular semi-empirical and molecular mechanics parameter sets are available. It also lists current limits for Spartan's ab initio, density functional, semi-empirical and mechanics modules. Information on quantum chemical methods only is available under Periodic Table in the Logo menu (see Section 3.6).


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