1. Introduction

Ghemical is a computational chemistry software package released under the GNU GPL. It means that full source code of the package is available, and users are free to study and modify the package. If you wonder about spelling in the package name, yes it's intentionally a bit "wrong" (originally inspired by the funny name of the excellent spreadsheet program Gnumeric), but feel free to pronounce it just in a way that is comfortable!

This document describes the user interface of the Ghemical (version 2.00), as well as the main features of different components of the program.

The main elements of the user interface are the main menu and the main toolbar.

the main menu

The items in the main menu cover the features:

the main toolbar

The buttons of the the main toolbar are mouse tool buttons. One of these buttons is always pressed down, and this determines what operations are done when the user handles the models with mouse. The left mousebutton always triggers the mouse tool operations, and the tools and operations are the following:

In addition to these standard features some of the tools have some special features:

In addition to the above topics, the following small tips and tricks are worth mentioning:

1.1 Changes from version 1.00

The most important change from version 1.00 is that the separate MM/QM/simplified project types are united into a single project type. The type of the calculations are now selected from the "Compute/Setup..." dialog from the popup menu.