Ghemical for GNOME version 1.00

User's Manual


Copyright (C) 2001-2002 Christopher Rowley, Tommi Hassinen.


Table of Contents

1. Introduction

2. User's Manual
2.1 Molecular Mechanics Modelling
2.1.1 Quick Start : modelling Ethane
2.1.2 Changing the 3D-views
2.1.3 Add Hydrogens Tool
2.1.4 Geometry Optimization
2.1.5 Labeling Atoms and Bonds
2.1.6 The Formula Tool
2.1.7 Measuring Tools
2.1.8 Visualization Tools
2.1.9 Molecular Dynamics
2.1.10 Molecular Dynamics Viewer
2.1.11 Conformational Search Tools
2.1.12 1D and 2D Energy vs. Torsion Plots
2.1.13 Sequence Builder
2.1.14 MDI Mode
2.1.15 Ribbon Model visualization tool
2.2 Quantum-Mechanical Modelling

2.3 The Simplifed Force Field

2.4 Appendix 1 : Amino Acid Abbreviations Table
2.5 Appendix 2 : Filetypes for Import and Export
3. References