SDF file format


Structure Description File

Write SDF
By selecting [File][write SDF] the appearance of the present onscreen image is saved (frozen) to a text file. The file will be saved in the sdf/ subdirectory under a name present_ file_name.SDF

Atom radii and atom colors are not saved, since they depend on your settings in the Periodic Table .

Load SDF
A previously written SDF file can be loaded as parameter eg.: java JSV path afile.SDF or from the menu [File][load SDF]. By doing so no bonds nor polyhedra need to be recalculated within the program, since all information is given in the SDF file (contrary to the files for the asymmetric-, full- or cartesian cell)

restrictions when viewing a SDF file
You cannot switch between single unit cell and multiple unit cells, since no spacegroup routines nor cell information are loaded with a SDF file. (see example file "cu2fesns.jsv.SDF")

changes in JSV1.07
As from JSV1.07 the SDF file format has changed. However SDF files written by previous versions can still be read in. The new format contains extra information on bond properties and others. It is also more easily readable and to some extent editable. If you want to write your own SDF files for JSV you may use the template file lib/template.SDF . Please contact me for further details if you wish to write SDF files.