SIR92 in WinGX

The WinGX implementation of SIR92

The WinGX version of SIR92 is a Windows implementation of the MSDOS code as released by the authors. It has not been modified in any significant way. However, the creation of the input file SIR92.INS is handled automatically. A total of four levels are offered, with Level 1 being the standard default run, and Levels 2 to 4 corresponding to increasing levels of difficulty. Level 1 should be selected as the most appropriate for an initial run.

When Levels 1 - 4 are selected, a Dialog Box will open. If possible, the information required for SIR92, i.e. unit cell data, space group symbol, number and type of atoms in cell etc, will obtained automatically, otherwise the user should enter or modify this information via the Dialog Box.

Alternatively, the user may wish to modify the input file SIR92.INS manually. This file is saved after SIR92 has executed, and so may be used for subsequent runs. In order to use a pre-existing input file, use the "Use SIR92file" Menu Item.