Small molecule GUIs for use with SHELX

The following graphical user interfaces may be useful for use with SHELX:

shelXle, Olex2, Oscail and WinGX provide expert guidance for refinements with SHELXL.

PLATON may be used for molecular geometry calculations, making diagrams and a large variety of diagnostics.

PATSEE is a fragment search (molecular replacement) program for small molecules, which may prove useful when the resolution is poor or the data incomplete.

CheckCIF, PublCIF and EnCIFer are useful for checking and manipulating CIF files.

The GRADE webserver at Global Phasing Ltd. generates DFIX and FLAT restraints in SHELXL format using quantum chemistry and the CSD.