Can I customise enCIFer to check for the presence of specific data items, required by a particular journal publisher or crystallographic database?
Yes, enCIFer can be used to check CIFs against a configurable mandatory data items file. Two files, recommended.cif and mandatory_rsc.cif, are provided with the enCIFer distribution. recommended.cif contains a list of data items which are commonly required by journals which publish the results of crystal structure determinations, and for deposition at the CCDC. Some additional mandatory data items files are provided which are already tailored to the requirements of particular journal publishers e.g. mandatory_rsc.cif. All of these files may be customised to suit specific requirements.
For further information please refer to section 7.7 of the enCIFer user guide.