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FAQ: Structure will not solve

github-actions[bot] edited this page Jul 29, 2021 · 2 revisions

The default structure solution attempt failed. How do I prepare a different job?

It might be wise to look in the output of the listing file of the structure solution program.

Either:

  • Choose "Sir 92" or "Shelxs" from the "Solve menu" and choose one of the alternative solution options.

or type:

  • \FOREIGN SIR92 DIFFICULT or \FOREIGN SHELX DIFFICULT
  • Exit CRYSTALS (\END) and run the direct methods program (Sir92 or Shelxs).

Category FAQ