International Tables for Crystallography (2010). Vol. B. ch. 3.3, pp. 418-448
https://doi.org/10.1107/97809553602060000770 |
Chapter 3.3. Molecular modelling and graphics
Contents
- 3.3. Molecular modelling and graphics (pp. 418-448) | html | pdf | chapter contents |
- 3.3.1. Graphics (pp. 418-434) | html | pdf |
- 3.3.1.1. Coordinate systems, notation and standards (pp. 418-419) | html | pdf |
- 3.3.1.2. Orthogonal (or rotation) matrices (pp. 419-426) | html | pdf |
- 3.3.1.2.1. General form (pp. 419-422) | html | pdf |
- 3.3.1.2.2. Measurement of rotations and strains from coordinates (pp. 422-425) | html | pdf |
- 3.3.1.2.3. Orthogonalization of impure rotations (p. 425) | html | pdf |
- 3.3.1.2.4. Eigenvalues and eigenvectors of orthogonal matrices (pp. 425-426) | html | pdf |
- 3.3.1.3. Projection transformations and spaces (pp. 426-431) | html | pdf |
- 3.3.1.3.1. Definitions (p. 426) | html | pdf |
- 3.3.1.3.2. Translation (p. 426) | html | pdf |
- 3.3.1.3.3. Rotation (p. 426) | html | pdf |
- 3.3.1.3.4. Scale (p. 426) | html | pdf |
- 3.3.1.3.5. Windowing and perspective (pp. 426-428) | html | pdf |
- 3.3.1.3.6. Stereoviews (p. 428) | html | pdf |
- 3.3.1.3.7. Viewports (pp. 428-429) | html | pdf |
- 3.3.1.3.8. Compound transformations (pp. 429-430) | html | pdf |
- 3.3.1.3.9. Inverse transformations (p. 430) | html | pdf |
- 3.3.1.3.10. The three-axis joystick (pp. 430-431) | html | pdf |
- 3.3.1.3.11. Other useful rotations (p. 431) | html | pdf |
- 3.3.1.3.12. Symmetry (p. 431) | html | pdf |
- 3.3.1.4. Modelling transformations (pp. 431-432) | html | pdf |
- 3.3.1.5. Drawing techniques (pp. 432-434) | html | pdf |
- 3.3.1.5.1. Types of hardware (pp. 432-433) | html | pdf |
- 3.3.1.5.2. Optimization of line drawings (p. 433) | html | pdf |
- 3.3.1.5.3. Representation of surfaces by lines (p. 433) | html | pdf |
- 3.3.1.5.4. Representation of surfaces by dots (p. 433) | html | pdf |
- 3.3.1.5.5. Representation of surfaces by shading (pp. 433-434) | html | pdf |
- 3.3.1.5.6. Advanced hidden-line and hidden-surface algorithms (p. 434) | html | pdf |
- 3.3.2. Molecular modelling, problems and approaches (pp. 434-438) | html | pdf |
- 3.3.3. Implementations (pp. 438-442) | html | pdf |
- 3.3.3.1. Systems for the display and modification of retrieved data (pp. 438-439) | html | pdf |
- 3.3.3.1.1. ORTEP (p. 438) | html | pdf |
- 3.3.3.1.2. Feldmann's system (pp. 438-439) | html | pdf |
- 3.3.3.1.3. Lesk & Hardman software (p. 439) | html | pdf |
- 3.3.3.1.4. GRAMPS (p. 439) | html | pdf |
- 3.3.3.1.5. Takenaka & Sasada's system (p. 439) | html | pdf |
- 3.3.3.1.6. MIDAS (p. 439) | html | pdf |
- 3.3.3.1.7. Insight (p. 439) | html | pdf |
- 3.3.3.1.8. PLUTO (p. 439) | html | pdf |
- 3.3.3.1.9. MDKINO (p. 439) | html | pdf |
- 3.3.3.2. Molecular-modelling systems based on electron density (pp. 439-442) | html | pdf |
- 3.3.3.2.1. CHEMGRAF (pp. 439-440) | html | pdf |
- 3.3.3.2.2. GRIP (p. 440) | html | pdf |
- 3.3.3.2.3. Barry, Denson & North's systems (p. 440) | html | pdf |
- 3.3.3.2.4. MMS-X (p. 440) | html | pdf |
- 3.3.3.2.5. Texas A&M University system (p. 440) | html | pdf |
- 3.3.3.2.6. Bilder (pp. 440-441) | html | pdf |
- 3.3.3.2.7. Frodo (p. 441) | html | pdf |
- 3.3.3.2.8. Guide (p. 441) | html | pdf |
- 3.3.3.2.9. HYDRA (p. 441) | html | pdf |
- 3.3.3.2.10. O (pp. 441-442) | html | pdf |
- 3.3.3.3. Molecular-modelling systems based on other criteria (p. 442) | html | pdf |
- 3.3.3.1. Systems for the display and modification of retrieved data (pp. 438-439) | html | pdf |
- 3.3.4. Graphics software for the display of small and medium-sized molecules (pp. 442-445) | html | pdf |
- 3.3.4.1. Introduction (pp. 442-443) | html | pdf |
- 3.3.4.2. Types of crystal structure display and functionality (pp. 443-445) | html | pdf |
- 3.3.4.2.1. Ball and stick (p. 443) | html | pdf |
- 3.3.4.2.2. Anisotropic displacement parameters (p. 443) | html | pdf |
- 3.3.4.2.3. Mean-square displacement amplitude (p. 443) | html | pdf |
- 3.3.4.2.4. Polyhedral display (pp. 443-444) | html | pdf |
- 3.3.4.2.5. Cartesian coordinates (p. 445) | html | pdf |
- 3.3.4.2.6. Comparing or overlaying crystal structures (p. 445) | html | pdf |
- 3.3.4.2.7. Extended structures and topology analysis (p. 445) | html | pdf |
- 3.3.4.2.8. Magnetic crystal structure display (p. 445) | html | pdf |
- 3.3.4.2.9. Incommensurate crystal structures (p. 445) | html | pdf |
- References | html | pdf |
- Figures
- Fig. 3.3.1.1. The relationship between display-space coordinates (X, Y, Z, W) and picture-space coordinates (x, y, z, w) derived from them by the window transformation, U (p. 427) | html | pdf |
- Fig. 3.3.1.2. Schematic representation of a simple branched-chain molecule with a stationary root and two extremities (p. 432) | html | pdf |
- Tables
- 3.3.1. Graphics (pp. 418-434) | html | pdf |