Printable Handouts

PDF

Navigable Slide Index

1. Introduction
2. Representing chemical compounds
3. Typical 3D molecular visualizations
4. Talk outline
5. Typical 3D molecular visualizations - ball and stick
6. Typical 3D molecular visualizations - other ways
7. Use of color in 3D molecular visualization
8. Molecular surfaces - van der Waals
9. Molecular surfaces - solvent excluded
10. Molecular surfaces - solvent accessible
11. Molecular surfaces - mapping by temperature
12. Molecular surfaces - electrostatics mapping
13. Chapter summary - isosurfaces construction
14. Molecular surfaces - isosurfaces (1)
15. Molecular surfaces - isosurfaces (2)
16. Marching cubes algorithm (1)
17. Marching cubes algorithm (2)
18. Chapter summary - 3D visualization
19. Chapter summary - molecular surfaces
20. Chapter summary - isosurface construction
21. References and additional reading

Topics Covered

• Representing chemical compounds
• Typical 3D molecular visualizations
• Molecular Surfaces
• Van der Waals
• Solvent excluded
• Solvent accessible
• Mapping data onto molecular surfaces
• Construction of surfaces
• Isosurfaces
• Marching Cubes algorithm

Links

Series:

• Introduction to Cheminformatics

Categories:

• Methods

Talk Citation

Hanson, R.M. (2011, May 29). Common types of visualization of chemical structure [Video file]. In The Biomedical & Life Sciences Collection, Henry Stewart Talks. Retrieved April 15, 2025, from https://doi.org/10.69645/QGNF9976.
Export Citation (RIS)

Publication History

• Published on May 29, 2011

Financial Disclosures

• Prof. Robert M. Hanson has not informed HSTalks of any commercial/financial relationship that it is appropriate to disclose.