The Representation of Molecular Models

Rendering Techniques

Part I

The Representation of Molecular Models

Part II

Rendering Techniques.

Part I

1. Structural models.

1.1 The wire-frame model.

1.2 The ball-&-stick model.

1.3 The space-filling model.

1.4 The stick model.

1.5 Applications in biochemistry.

1.6 Cristallography and inorganic chemistry.

2. Surfaces.

2.1 Van der Waals surface.

2.2 Connolly surface.

2.3 Solvent accessible surface.

2.4 Isovalue electronic density surface.

3. Properties on surfaces.

3.1 Molecular orbitals.

3.2 Molecular electrostatic potential.

3.3 Interaction energy.

3.4 Spin density.

4. Properties and isovalue surfaces.

4.1 Molecular orbitals.

4.2 Molecular electrostatic potential.

4.3 Interaction energy.

4.4 Spin density.

5. Animated models : dynamic processes.

5.1 Vibrations.

5.2 Minimum energy reaction path.

5.3 Molecular dynamic.

6. Virtual reality.

7. Future.

Part II

1. Shading techniques.

1.1 Classical illumination model of a polygon mesh

1.2 Shading :

1.2.1 Constant shading.

1.2.2 Gouraud shading.

1.2.3 Phong shading.

1.2.4 Problems with interpolated shading.

2. Shadows :

2.1 Self-shadows.

2.2 Cast-shadows.

3. Transparency:

3.1 Non-refractive transparency.

3.2 Refractive transparency.

4. Ray tracing.

5. Radiosity method.

6. Texture mapping:

6.1 1D texture mapping.

6.2 2D texture mapping.

6.3 3D texture mapping.

Crystal in Europe

University of Geneva

FTP access to the SGI file format images of the current document