ORTEP/ADP

ORTEP/ADP and ORTEP/RENDER

This link is designed for the automatic generation of ORTEP/ADP illustrations suitable for detailed inspection of anisotropic displacement parameters and the generation of illustrations suitable for publication.

Only a limited set of the large amount of instructions available in the full ORTEP-III program is implemented. In particular, no unitcell filling packing diagrams are available.

Note: Suitable ARU's can be added to the display via the CALC COORDN option. Clicking on an atom will display a list of short contacts. Click on the appropriate lines to add an ARU.

Various geometrical calculation and displays are available via submenus of this link (e.g. manual fitting of molecules, least squares plane definitions).

This ORTEP option also provides an easy path to the generation of raster rendered OPTEP-plots using the Raster3D package of Merritt & Bacon.

RASTER3D plots may be useful for Poster presentations.

Journals will probably prefer the classical black-and-white line drawing plots.

Example: #1