README

Information for CBFlib 0.7.7.6, 30 June 2007

Before using this software, please read the

for important disclaimers and the IUCr Policy on the Use of the Crystallographic Information File (CIF) and other important information.

CBFLIB is a library of ANSI-C functions providing a simple mechanism for accessing Crystallographic Binary Files (CBF files) and Image-supporting CIF (imgCIF) files. The CBFLIB API is loosely based on the CIFPARSE API for mmCIF files. Starting with this release, CBFLIB performs validation checks on reading of a CBF. If a dictionary is provided, values will be validated against dictionary ranges and enumerations. Tags missing under parent-child relationships or category key requirements will be reported. CBFlib provides functions to create, read, modify and write CBF binary data files and imgCIF ASCII data files.

Installation

CBFLIB should be built on a disk with at least 200 megabytes of free space. CBFlib_0.7.7.tar.gz is a "gzipped" tar of the code as it now stands. In addition, CBFlib_0.7.7_Data_Files.tar.gz is a "gzipped tar of the data files needed to test the API. Place both gzipped tars in the directory that is intended to contain two new directories, named CBFlib_0.7.7 (the "top-level" directory) and CBFlib_0.7.7_Data_Files. Uncompress both tarballs with gunzip and unpack them with tar:

     gunzip CBFlib_0.7.7.tar.gz
     tar xvf CBFLIB_0.7.7.tar
     gunzip CBFlib_0.7.7_Data_Files.tar.gz
     tar xvf CBFLIB_0.7.7_Data_Files.tar

As with prior releases, to run the test programs, you will also need Paul Ellis's sample MAR345 image, example.mar2300, and Chris Nielsen's sample ADSC Quantum 315 image, mb_LP_1_001.img as sample data. Both these files will be extracted by the Makefile from CBFlib_0.7.7_Data_Files. Do not download copies into the top level directory.

After unpacking the archives, the top-level directory should contain a makefile:

Makefile

Makefile for unix

and the subdirectories:

src/	CBFLIB source files
include/	CBFLIB header files
m4/	CBFLIB m4 macro files (used to build .f90 files)
examples/	Example program source files
doc/	Documentation
lib/	Compiled CBFLIB (libcbf.a) and FCBLIB (libfcb.a) libraries
bin/	Executable example programs
html_images/	JPEG images used in rendering the HTML files

For instructions on compiling and testing the library, go to the top-level directory and type:

     make

Please refer to the manual doc/CBFlib.html for more detailed information.