Cif Reader is a software tool designed to handle CIFs from parametric refinements, with many data blocks in a single CIF describing the same structure but at a series of temperatures and pressures. The object of the software is two-fold first to provide a tool to organize the data and analyze the results from such studies and second to avoid the cutting and pasting that often accompanies the preparation of data tables for a publication describing the results of a parametric study.
The program will read all of the data blocks simultaneously, calculate bond lengths, angles and polyhedral parameters from all of the structures, and produce tables of crystallographic parameters arranged as a function of pressure or temperature. It will also analyze all loaded structures for missing symmetry, add that symmetry and create new cif files. It will also read some crystallographic structure data in other file formats.
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