HMCS Vancouver Pre-Deployment Brief - May 2024 (Web Version).pptx
Towards Interactive 3D Graphics in Chemistry Publications
1. Towards Interactive 3D Graphics in Chemistry Publications Vladislav Vasilyev Supercomputer Facility Australian National University, Canberra, Australia
2.
3.
4.
5. PDF is Current Gold Standard of Electronic Publishing
6.
7.
8. How to Embed 3D Data into PDF Only Acrobat 9 Pro Extended can be used for creating 3D PDF Documents
11. 1) Inserting 3D Object in Acrobat 9 Pro Extended: Loading CAD * File * CAD – Computer-Aided Design
12. 3D PDF and Microsoft Office products Word, PowerPoint, and Excel In Microsoft Office applications, user can adjust the placement, background color, and other properties of inserted 3D models (hide or isolate parts, create new views, and set model perspective). The resulted Office document with the embedded 3D model(s) can be converted into the 3D PDF.
15. Custom Views in 3D PDF Custom Views help readers to navigate quickly the 3D content (such as top, bottom, left, right, inside, outside, etc.).
16. Custom Views in 3D PDF Custom Views help readers to navigate quickly the 3D content: molecule, molecule+ESP, molecule+HOMO, molecule+LUMO
17. Poster Image in 3D PDF 2D image that is not part of the 3D content which is displayed when the interactive content is not activated. Poster Image 3D Content
18.
19. The Dynamic 3D Content: Using Check Boxes Show/Hide Displacement Vectors Show/Hide Displacement Vectors Execute JavaScript to show/hide particular graphics nodes
20. The Dynamic 3D Content: Using Radio Boxes Execute JavaScript to show/hide particular graphics nodes
21. The Dynamic 3D Content: Creating Animations Execute JavaScript to show/hide particular graphics nodes (frames)
22.
23.
24. On-Line Tutorial for Creating 3D PDF http://sf.anu.edu.au/~vvv900/cct/appl/jmoleditor/manual/tutorials/3d-pdf/
25. On-Line Tutorial for Creating 3D PDF Step by step instructions, samples of JavaScript http://sf.anu.edu.au/~vvv900/cct/appl/jmoleditor/manual/tutorials/3d-pdf/
26. Jamberoo – Molecular Editor/Builder On the web: http://sf.anu.edu.au/~vvv900/cct/appl/jmoleditor/index.html ~8100 downloads from 77 countries for two years
27. Jamberoo Supports Many Popular Computational Chemistry Formats Gaussian GAMESS Mopac PBD Tripos Mol2 Amber Gromacs etc.
36. Displaying Vibrational Spectra Use combobox to select spectrum to plot and press “Show Spectrum” button to plot selected spectrum Implemented for Gaussian output files
37. Displaying Vibrational Modes Shows Animation of Vibrations and Displacement Vectors Implemented for Gaussian & ADF output files
38. Conclusions PDF documents with integrated 3D models provide new ways of visualizing complex molecular properties in an instructive and interactive manner which is ideally suited for the research and educational purposes