/cctbx_sources/cbflib/README
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Possible License(s): LGPL-2.1, Unlicense, BSD-3-Clause, LGPL-3.0, LGPL-2.0, CC-BY-SA-3.0
- CBFlib
- README
- Information for CBFlib 0.9.2 release of 12 February 2011
- revised as the CBFlib 0.9.2.1 release of 20 June 2011
- revised as the CBFlib 0.9.2.2 release of 2 July 2011
- revised as the CBFlib 0.9.2.3 release of 9 July 2011
- revised as the CBFlib 0.9.2.4 release of 1 January 2012
- by
- Paul J. Ellis
- Stanford Synchrotron Radiation Laboratory
- and
- Herbert J. Bernstein
- Bernstein + Sons
- yaya at bernstein-plus-sons dot com
- (c) Copyright 2006 -- 2012 Herbert J. Bernstein
- ----------------------------------------------------------------------
- YOU MAY REDISTRIBUTE THE CBFLIB PACKAGE UNDER THE TERMS OF THE GPL.
- ALTERNATIVELY YOU MAY REDISTRIBUTE THE CBFLIB API UNDER THE TERMS OF THE
- LGPL.
- ----------------------------------------------------------------------
- Before using this software, please read the
- NOTICE
- for important disclaimers and the IUCr Policy on the Use of the Crystallographic
- Information File (CIF) and other important information.
- Work on imgCIF and CBFlib supported in part by the U. S. Department of
- Energy (DOE) under grants ER63601-1021466-0009501 and
- ER64212-1027708-0011962, by the U. S. National Science Foundation (NSF)
- under grants DBI-0610407, DBI-0315281 and EF-0312612, the U. S. National
- Institutes of Health (NIH) under grants 1R15GM078077 from NIGMS and
- 1R13RR023192 from NCRR and funding from the International Union for
- Crystallography (IUCr). The content is solely the responsibility of the
- authors and does not necessarily represent the official views of DOE, NSF,
- NIH, NIGMS, NCRR or IUCr.
- ----------------------------------------------------------------------
- CBFlib 0.9.2.4 is a minor revision to the CBFlib 0.9.2.3 release to
- support tiff2cbf for short in tiffs and to fix problems with 64 bit long
- integers uncovered on Mac OSX 10.6 and 10.7 for 64 compilers.
- CBFlib 0.9.2.3 is a minor revision to the CBFlib 0.9.2.2 release to allow
- use of NO_CBF_REGEX to suppress use of regex for convenience in doing
- visual studio builds for cctbx as requested by Ralf Ralf Grosse-Kunstleve
- for cctbx builds.
- CBFlib 0.9.2.2 is a minor revision to the CBFlib 0.9.2.1 release in July
- 2011 to update doc/cif_img.dic to the 1.6.4 revision.
- CBFlib 0.9.2.1 is a minor revision to the CBFlib 0.9.2 release in June
- 2011 to upgrade the setup script for the pycbf Python bindings to simplify
- using pycbf outside the context of the CBFlib pycbf directory.
- CBFlib 0.9.2 is the recommended release of CBFlib of February 2011. The
- commulative changes in releases 0.9.1 and 0.9.2 since CBFlib 0.9.0 are:
- * Temporary removal of default PyCifRW support for compliance with
- Fedora license requirements.
- * Addition of a new tiff2cbf example program.
- * Update pycbf python wraapper for CBFlib.
- * Padding options added to adscimg2cbf by C. Nielsen.
- * System and gnu versions of getopt replaced by cbf_getopt.
- * Code to handle CIF2 bracketed constructs and quoted strings added.
- * System to log errors and warnings added.
- * Java wrapper by Peter Chang added.
- * Dectris template code by E. Eikenberry added.
- CBFlib 0.9.1 included a correction to CBFlib 0.9.0 to make axis the
- cbf_simple routines apply axis rotations correctly for detectors and to
- pick up corrections for byte offet compression incorporated into the
- upcoming CBFlib 0.9.1 release. The earlier version had failed to apply the
- rotations to the accumulated displacements. Our thanks to Joerg Kaercher
- of Bruker-AXS for identifying the rotation problem.
- CBFlib 0.9.0 was a partial pre-release of CBFlib version 0.8 needed to
- support changes in RasMol. This release was incomplete and used were
- advided to use it with caution, but it has proven to be a reliable, stable
- release for 2 years. There have been significant changes in the
- input/output logic and in validation. For a ChangeLog consult the SVN of
- the CBFlib project on sourceforge.
- 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 350 megabytes of free
- space, for a full installation with complete tests. Read the instructions
- below carefully, if space is a problem.
- A gizpped tarball of this release is available on sourceforge at
- http://downloads.sf.net/cbflib/CBFlib-0.9.2.4.tar.gz
- In addition,
- http://downloads.sf.net/cbflib/CBFlib_0.9.2_Data_Files_Input.tar.gz (13
- MB) is a "gzipped" tar of the input data files needed to test the API,
- http://downloads.sf.net/cbflib/CBFlib_0.9.2_Data_Files_Output.tar.gz (34
- MB) is a "gzipped" tar of the output data files needed to test the API,
- and, if space is at a premium,
- http://downloads.sf.net/cbflib/CBFlib_0.9.2_Data_Files_Output_Sigs_Only.tar.gz
- (1KB) is a "gzipped" tar of only the MD5 signatures of the output data
- files needed to test the API. Place the CBFlib_0.9.2.4.tar.gz file in the
- directory that is intended to contain up to 4 new directories, named
- CBFlib_0.9.2.4 (the "top-level" directory), CBFlib_0.9.2_Data_Files_Input
- and either CBFlib_0.9.2_Data_Files_Output or
- CBFlib_0.9.2_Data_Files_Output_Sigs_Only. If you have wget on your
- machine, you only need to download the source tarball. If you do not have
- wget, you will need to download all the tarballs into the same directory
- Uncompress CBFlib_0.9.2.4.tar.gz with gunzip and unpack it with tar:
- gunzip CBFlib_0.9.2.4.tar.gz
- tar xvf CBFLIB_0.9.2.4.tar
- To run the test programs, you will also need Paul Ellis's sample MAR345
- image, example.mar2300, Chris Nielsen's sample ADSC Quantum 315 image,
- mb_LP_1_001.img, and Eric Eikenberry's SLS sample Pilatus 6m image,
- insulin_pilatus6m, as sample data. In addition there are is a PDB mmCIF
- file, 9ins.cif, and 3 special test files testflatin.cbf,
- testflatpackedin.cbf and testrealin.cbf. All these files will be dowloaded
- and extracted by the Makefile from CBFlib_0.9.2_Data_Files_Input. 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
-
- bin/ Executable example programs
- doc/ Documentation
- examples/ Example program source files
- html_images/ JPEG images used in rendering the HTML files
- lib/ Compiled CBFLIB (libcbf.a) and FCBLIB (libfcb.a)
- libraries
- m4/ CBFLIB m4 macro files (used to build .f90 files)
- mswin/ An MS Windows CodeWarrior project file
- pycbf/ Jon Wright's Python bindings
- and additional Makefiles for other systems. All the makefiles are created
- from m4/Makefile.m4. Edit the closest approximation to your system, and
- then copy that variant to Makefile.
- For instructions on compiling and testing the library, go to the top-level
- directory and type:
- make
- Once you have a properly configure Makefile, compile and test the package
- with
- make tests
- or, if space is at a premium, with
- make tests_sigs_only
- Please refer to the manual doc/CBFlib.html for more detailed information.
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- Updated 1 January 2012. yaya at bernstein-plus-sons dot com