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/cctbx_sources/cbflib/README

https://bitbucket.org/bcarvello/cctbx
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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
  1. CBFlib
  2. README
  3. Information for CBFlib 0.9.2 release of 12 February 2011
  4. revised as the CBFlib 0.9.2.1 release of 20 June 2011
  5. revised as the CBFlib 0.9.2.2 release of 2 July 2011
  6. revised as the CBFlib 0.9.2.3 release of 9 July 2011
  7. revised as the CBFlib 0.9.2.4 release of 1 January 2012
  8. by
  9. Paul J. Ellis
  10. Stanford Synchrotron Radiation Laboratory
  11. and
  12. Herbert J. Bernstein
  13. Bernstein + Sons
  14. yaya at bernstein-plus-sons dot com
  15. (c) Copyright 2006 -- 2012 Herbert J. Bernstein
  16. ----------------------------------------------------------------------
  17. YOU MAY REDISTRIBUTE THE CBFLIB PACKAGE UNDER THE TERMS OF THE GPL.
  18. ALTERNATIVELY YOU MAY REDISTRIBUTE THE CBFLIB API UNDER THE TERMS OF THE
  19. LGPL.
  20. ----------------------------------------------------------------------
  21. Before using this software, please read the
  22. NOTICE
  23. for important disclaimers and the IUCr Policy on the Use of the Crystallographic
  24. Information File (CIF) and other important information.
  25. Work on imgCIF and CBFlib supported in part by the U. S. Department of
  26. Energy (DOE) under grants ER63601-1021466-0009501 and
  27. ER64212-1027708-0011962, by the U. S. National Science Foundation (NSF)
  28. under grants DBI-0610407, DBI-0315281 and EF-0312612, the U. S. National
  29. Institutes of Health (NIH) under grants 1R15GM078077 from NIGMS and
  30. 1R13RR023192 from NCRR and funding from the International Union for
  31. Crystallography (IUCr). The content is solely the responsibility of the
  32. authors and does not necessarily represent the official views of DOE, NSF,
  33. NIH, NIGMS, NCRR or IUCr.
  34. ----------------------------------------------------------------------
  35. CBFlib 0.9.2.4 is a minor revision to the CBFlib 0.9.2.3 release to
  36. support tiff2cbf for short in tiffs and to fix problems with 64 bit long
  37. integers uncovered on Mac OSX 10.6 and 10.7 for 64 compilers.
  38. CBFlib 0.9.2.3 is a minor revision to the CBFlib 0.9.2.2 release to allow
  39. use of NO_CBF_REGEX to suppress use of regex for convenience in doing
  40. visual studio builds for cctbx as requested by Ralf Ralf Grosse-Kunstleve
  41. for cctbx builds.
  42. CBFlib 0.9.2.2 is a minor revision to the CBFlib 0.9.2.1 release in July
  43. 2011 to update doc/cif_img.dic to the 1.6.4 revision.
  44. CBFlib 0.9.2.1 is a minor revision to the CBFlib 0.9.2 release in June
  45. 2011 to upgrade the setup script for the pycbf Python bindings to simplify
  46. using pycbf outside the context of the CBFlib pycbf directory.
  47. CBFlib 0.9.2 is the recommended release of CBFlib of February 2011. The
  48. commulative changes in releases 0.9.1 and 0.9.2 since CBFlib 0.9.0 are:
  49. * Temporary removal of default PyCifRW support for compliance with
  50. Fedora license requirements.
  51. * Addition of a new tiff2cbf example program.
  52. * Update pycbf python wraapper for CBFlib.
  53. * Padding options added to adscimg2cbf by C. Nielsen.
  54. * System and gnu versions of getopt replaced by cbf_getopt.
  55. * Code to handle CIF2 bracketed constructs and quoted strings added.
  56. * System to log errors and warnings added.
  57. * Java wrapper by Peter Chang added.
  58. * Dectris template code by E. Eikenberry added.
  59. CBFlib 0.9.1 included a correction to CBFlib 0.9.0 to make axis the
  60. cbf_simple routines apply axis rotations correctly for detectors and to
  61. pick up corrections for byte offet compression incorporated into the
  62. upcoming CBFlib 0.9.1 release. The earlier version had failed to apply the
  63. rotations to the accumulated displacements. Our thanks to Joerg Kaercher
  64. of Bruker-AXS for identifying the rotation problem.
  65. CBFlib 0.9.0 was a partial pre-release of CBFlib version 0.8 needed to
  66. support changes in RasMol. This release was incomplete and used were
  67. advided to use it with caution, but it has proven to be a reliable, stable
  68. release for 2 years. There have been significant changes in the
  69. input/output logic and in validation. For a ChangeLog consult the SVN of
  70. the CBFlib project on sourceforge.
  71. CBFLIB is a library of ANSI-C functions providing a simple mechanism for
  72. accessing Crystallographic Binary Files (CBF files) and Image-supporting
  73. CIF (imgCIF) files. The CBFLIB API is loosely based on the CIFPARSE API
  74. for mmCIF files. Starting with this release, CBFLIB performs validation
  75. checks on reading of a CBF. If a dictionary is provided, values will be
  76. validated against dictionary ranges and enumerations. Tags missing under
  77. parent-child relationships or category key requirements will be reported.
  78. CBFlib provides functions to create, read, modify and write CBF binary
  79. data files and imgCIF ASCII data files.
  80. Installation
  81. CBFLIB should be built on a disk with at least 350 megabytes of free
  82. space, for a full installation with complete tests. Read the instructions
  83. below carefully, if space is a problem.
  84. A gizpped tarball of this release is available on sourceforge at
  85. http://downloads.sf.net/cbflib/CBFlib-0.9.2.4.tar.gz
  86. In addition,
  87. http://downloads.sf.net/cbflib/CBFlib_0.9.2_Data_Files_Input.tar.gz (13
  88. MB) is a "gzipped" tar of the input data files needed to test the API,
  89. http://downloads.sf.net/cbflib/CBFlib_0.9.2_Data_Files_Output.tar.gz (34
  90. MB) is a "gzipped" tar of the output data files needed to test the API,
  91. and, if space is at a premium,
  92. http://downloads.sf.net/cbflib/CBFlib_0.9.2_Data_Files_Output_Sigs_Only.tar.gz
  93. (1KB) is a "gzipped" tar of only the MD5 signatures of the output data
  94. files needed to test the API. Place the CBFlib_0.9.2.4.tar.gz file in the
  95. directory that is intended to contain up to 4 new directories, named
  96. CBFlib_0.9.2.4 (the "top-level" directory), CBFlib_0.9.2_Data_Files_Input
  97. and either CBFlib_0.9.2_Data_Files_Output or
  98. CBFlib_0.9.2_Data_Files_Output_Sigs_Only. If you have wget on your
  99. machine, you only need to download the source tarball. If you do not have
  100. wget, you will need to download all the tarballs into the same directory
  101. Uncompress CBFlib_0.9.2.4.tar.gz with gunzip and unpack it with tar:
  102. gunzip CBFlib_0.9.2.4.tar.gz
  103. tar xvf CBFLIB_0.9.2.4.tar
  104. To run the test programs, you will also need Paul Ellis's sample MAR345
  105. image, example.mar2300, Chris Nielsen's sample ADSC Quantum 315 image,
  106. mb_LP_1_001.img, and Eric Eikenberry's SLS sample Pilatus 6m image,
  107. insulin_pilatus6m, as sample data. In addition there are is a PDB mmCIF
  108. file, 9ins.cif, and 3 special test files testflatin.cbf,
  109. testflatpackedin.cbf and testrealin.cbf. All these files will be dowloaded
  110. and extracted by the Makefile from CBFlib_0.9.2_Data_Files_Input. Do not
  111. download copies into the top level directory.
  112. After unpacking the archives, the top-level directory should contain a
  113. makefile:
  114. Makefile Makefile for unix
  115. and the subdirectories:
  116. src/ CBFLIB source files
  117. include/ CBFLIB header files
  118. bin/ Executable example programs
  119. doc/ Documentation
  120. examples/ Example program source files
  121. html_images/ JPEG images used in rendering the HTML files
  122. lib/ Compiled CBFLIB (libcbf.a) and FCBLIB (libfcb.a)
  123. libraries
  124. m4/ CBFLIB m4 macro files (used to build .f90 files)
  125. mswin/ An MS Windows CodeWarrior project file
  126. pycbf/ Jon Wright's Python bindings
  127. and additional Makefiles for other systems. All the makefiles are created
  128. from m4/Makefile.m4. Edit the closest approximation to your system, and
  129. then copy that variant to Makefile.
  130. For instructions on compiling and testing the library, go to the top-level
  131. directory and type:
  132. make
  133. Once you have a properly configure Makefile, compile and test the package
  134. with
  135. make tests
  136. or, if space is at a premium, with
  137. make tests_sigs_only
  138. Please refer to the manual doc/CBFlib.html for more detailed information.
  139. ----------------------------------------------------------------------
  140. ----------------------------------------------------------------------
  141. Updated 1 January 2012. yaya at bernstein-plus-sons dot com