CIF2SHELXL

MISCELLANEOUS TOOLS

PLATON HOMEPAGE

This tool converts the data in a name.cif and name.fcf into a name_shelxl.ins and name_shelxl.hkl ready for re-refinement with SHELXL. The .ins file is constructed from the data in the .cif and the .hkl from the data in the .fcf.

The equivalent keyboard instruction is CIF2SHELXL.

The command line equivalent filter operation: platon -H name.cif.

Note: A CIF file created with SHELXL2012 already includes the .res and .hkl data. Two files, name_shelxl.ins and name_shelxl.hkl, will be saved automatically when PLATON is invoked with such a CIF-file. Invoking CIF2SHELXL will overwrite the two files with the content as described above.