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VEGA OpenGL Manual
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 -l[MOLTYPE]
3.12 m[KEYWORDS]
3.13 n
3.14 o[OUTPUT]
3.15 p[FORCE_FIELD]
3.16 r
3.17 s[POINTS]
3.18 w
5. Setting default parameters (prefs file)
6. Creating a new force
field template
6.1 ATDL atom description
7. Frequently Asked Questions (FAQ)
9. Development
information
9.1
Hardware for beta testing
9.2
Development tools
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
- CSV
Surface
- Interchange File Format
- PDB Fat
- PDB ATDL
- Raw Surface
- VEGA Selection
APPENDIX E Language
localization
- Introduction
- What you need
- How to make a new VEGA.catalog
- Notes
BONUS SOFTWARE
- MoPac 6.0
- WinDD Data Decompressor