JSV file formats

JSV basically accepts four different input formats, apart from the SDF format, which may be written by the program itself. These formats are data for the

1. asymmetric unit cell:
The included spacegroup routines generate all equivalent atom positions and transform them into cartesian coordinates. Only unique bond pairs and polyhedra need to be specified. equivalent ones will be generated.

2. full unit cell:
No atoms need to be generated. Only conversion to cartesian coordinates is done. All bonds and polyhedra have to be specified

3. cartesian cell:
No atom generation nor transformation of atom coordinates necessary .

4. pure xyz data:
a file with just three columns for x y z


These input files are simple ASCII files and can be written using any texteditor.

JSV's input files do not need a file extension. However I suggest that Windows users use the extension *.jsv, so that they can associate those files with the provided jsv.bat. Then JSV can be started by double clicking at a *.jsv file.

SDF files however need the extension *.SDF !