Batch Mode

From CRYSTALS

Can I prepare commands to run CRYSTALS in batch mode (like SHELX)?

Type the commands into a file with your favourite text editor. Then start crystals and type

\USE filename

Including the command

\SET EXPORT ON 

will cause CRYSTALS to write out a file called EXPORT.DAT at the end of a run, which contains atomic co-ordinates and refinement setup instructions, which may be edited for the next run.