Fig. 1.1.3.1. An abbreviated example of a PDB format file (p. 3) | html | pdf |
Fig. 1.1.3.2. An example of a CSD BCCAB format file (p. 4) | html | pdf |
Fig. 1.1.4.1. An abbreviated example of a Standard Crystallographic File Structure (SCFS) format file (p. 4) | html | pdf |
Fig. 1.1.6.1. Example 1 of a CIF (p. 5) | html | pdf |
Fig. 1.1.6.2. Example 2 of a CIF (p. 6) | html | pdf |
Fig. 1.1.7.1. Initial set of data items considered to be essential in a structure report submitted to Acta Crystallographica Section C (p. 6) | html | pdf |
Fig. 1.1.8.1. Informal DDL used in the initial version of the core CIF dictionary (now superseded by DDL1.4). (p. 7) | html | pdf |
Fig. 2.4.4.1. MIF coding of atom and bond properties for thiabutyrolactone (p. 46) | html | pdf |
Fig. 2.4.4.2. MIF coding of atom properties (including 3D coordinates), bond properties and display information for (+)-3-bromocamphor (p. 46) | html | pdf |
Fig. 2.4.4.3. Atom and bond properties for cyclohexane, together with 3D coordinate representations of three alternative conformations: chair, boat and twisted boat (p. 47) | html | pdf |
Fig. 2.4.6.1. Three alternative bonding conventions for toluene stored in the same MIF data block (p. 48) | html | pdf |
Fig. 2.4.7.1. MIF representation of (2-methylcyclohexyl)(3-methylcyclohexyl)(4-methylcyclohexyl)phosphine (p. 49) | html | pdf |
Fig. 2.4.7.2. MIF representation of the dipeptide alanylserine constructed using alanyl and seryl templates encapsulated in global save frames. (p. 49) | html | pdf |
Fig. 2.4.8.1. CIP stereochemical descriptors for (+)-3-bromocamphor (p. 50) | html | pdf |
Fig. 2.4.8.2. Archetypal coordination geometries used in stereochemical definition of the MIF data item _stereo_geometry. (p. 50) | html | pdf |
Fig. 2.4.8.3. Stereochemical data for menthyl-p-toluenesulfinate. (p. 51) | html | pdf |
Fig. 2.4.9.1. Query substructure for conjugated ketones or thioketones (p. 51) | html | pdf |
Tables
Table 2.4.4.1. Brief overview of the MIF syntax (p. 45) | html | pdf |
2.5. Specification of the core CIF dictionary definition language (DDL1) (pp. 53-60) | html | pdf | chapter contents |