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VEGA OpneGL Manual

1. Introduction

2. Installation
 
   2.1 Unix installation
        2.1.1 Building the VEGA package
        2.1.2 Setting-up your Unix system
    2.2 Windows installation
    2.3 AmigaDOS installation

3. Usage
    3.1 INPUT …
    3.2 –a[RES_NUM]
    3.3 –b
    3.4 –c[TEMPLATE]
    3.5 –d[DIELECTRIC]
    3.6 –e[NAME:NUM]
    3.7 –f[OUTPUT_FORMAT]
        3.7.1 Calculation formats
            3.7.1.1 Evaluation of interaction energy
            3.7.1.2 Information about the molecule
        3.7.2 Molecule formats
        3.7.3 Plot formats
        3.7.4 Surface formats
        3.7.5 VRML formats
    3.8 –g[RADIUS]
    3.9 –i[SHELL RAD SHAPE]
    3.10 –k[KEYWORDS]
    3.11 –m[KEYWORDS]
    3.12 –n
    3.13 –o[OUTPUT]
    3.14 –p[FORCE_FIELD]
    3.15 –r
    3.16 –s[POINTS]
    3.17 –w

4. Examples

5. Setting default parameters (prefs file)

6. Creating a new force field template
    6.1 ATDL atom description

7. Bugs

8. Development information
    8.1 Hardware for beta testing
    8.2 Development tools

9. History

10. Copyright and disclaimers

11. Acknowledgements

 

APPENDIX A
    Gasteiger-Marsili parameters

APPENDIX B
    VEGA prefs file

APPENDIX C – Templates
    - CVFF atom types
    - TRIPOS atom types
    - UNIV atom types

APPENDIX D – File formats
    - Interchange File Format (IFF)
    - PDB Fat File Format (PDBF)

APPENDIX E – Language localization
    - Introduction
    - What's you need
    - How to make a new VEGA.catalog
    - Notes

BONUS SOFTWARE
    - MoPac 6.0
    - WinDD Data Decompressor