Chapter 5.4 CIFtbx: Fortran tools for manipulating CIFs
Definition and exchange of crystallographic data
First Online Edition (2006)
Part 5. Applications
Published Online: 1 JAN 2006
© International Union of Crystallography 2006
International Tables for Crystallography
How to Cite
Bernstein, H. J. and Hall, S. R. 2006. CIFtbx: Fortran tools for manipulating CIFs. International Tables for Crystallography. 526–538.
- Published Online: 1 JAN 2006
CIFtbx is a Fortran function library for programmers developing CIF applications or adapting existing Fortran applications to work with CIF. This chapter documents the use of CIFtbx, describing the availability of functions, subroutines and variables to: initialize file handling; read CIF data; write CIF data; and monitor and control program execution. Commands are described by function; each section lists type, argument list and return values, and supplies a concise description of the purpose of the command or variable. There is a description of the mechanism for handling data‐name aliases and a description of the source‐file contents. Sample programs are supplied to illustrate the use of the library. Error messages are documented. A section on internals and programming style instructs the less‐experienced programmer in techniques of memory management, value passing, file management and other details that are possibly not obvious to programmers with particular experience in numerical computation.
- CIF software;
- Crystallographic Information File software;
- computer programs;
- object‐oriented CIF libraries;
- software design considerations