WRITE SHELX FILE


Clicking on SHELX-res on the main menu (column #7) will generate a shelxl.res formatted file, e.g. from a .cif file.

The addition of required instructions will make it suitable for a refinement run with SHELXL97, given the availability of a .hkl file (optionally to be generated from a .fcf file with the FCF2HKL option.)

The '.res' format is suitable as input for a number of external (commercial) software packages.


Alternatively, a shelxl-style .res file can be generated in the filter-mode:

Example: generate .res from .cif

platon -g sucrose.cif


MISCELLANEOUS TOOLS PLATON HOMEPAGE
30-Mar-2005 A.L.Spek