CIF TABLES
CIF TABLES
The program CIF TABLES is run interactively from the Dialog Window,
and reads a name.CIF or name.FCF file written by SHELXL using the
ACTA command. The CIF
files written by SHELX-93 and SHELXL-97 are slightly different, but both
versions may be processed. CIF TABLES provides the
following facilities, which may be selected from a menu:
- Some of the items which are unknown to SHELXL and so are present as '?'
in the name.CIF file may be replaced by the corresponding items from other CIF
files. Only non-looped '?' items are resolved in
this way. The program ARCHIVE CIF
will extract looped items, and it is strongly recommended to run
ARCHIVE CIF before running CIF TABLES, so that the non-looped items in name.CIF
may be resolved using ARCHIVE.CIF (the default resolve CIF file in WinGX).
- The structure factor tables file SFT.LST may be output in compressed form on HP-Laserjet compatible printers (Use the print button on the tool bar and select 130 char
per line ).
- Tables of crystal data, atom parameters, bond lengths and angles,
anisotropic displacement parameters and hydrogen atom coordinates may be
produced in a format specified in a file 'ciftab.???' (where ??? is any three
letter combination). A standard ASCII file ciftab.def is provided; users
may use it as a model for preparing files to conform with the various journal
requirements etc. This means that it is not necessary to modify and recompile
the program each time a journal changes its rules.