International
Tables for
Crystallography
Volume G
Definition and exchange of crystallographic data
Edited by S. R. Hall and B. McMahon

International Tables for Crystallography (2006). Vol. G. ch. 5.3, pp. 503-504

Section 5.3.3.1.9. The visualization window

B. McMahona*

a International Union of Crystallography, 5 Abbey Square, Chester CH1 2HU, England
Correspondence e-mail: bm@iucr.org

5.3.3.1.9. The visualization window

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A final useful feature of enCIFer is its ability to visualize the three-dimensional structure of molecules described in the data blocks of a CIF. Fig. 5.3.3.5[link] demonstrates crystal packing with a space-filling molecular representation, and the drop-down menu indicates some of the options available to modify the appearance of the graphics. The molecular-graphics library used by the program is part of the larger database interface software package developed at the Cambridge Crystallographic Data Centre. In the present version, the visualizer is run only upon initial parsing of the input CIF, and therefore does not provide an ability to track visually the molecular changes associated with direct modification of the contents of the file.

[Figure 5.3.3.5]

Figure 5.3.3.5 | top | pdf |

Visualization of a molecular and crystal three-dimensional structure with enCIFer.








































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