Crystallography Online: the website of the International Union of Crystallography

In response to a memory leak reported by Nick Sauter, new test 
releases of both CBFlib and of the imgCIF dictionary are now 
available at:

   http://www.bernstein-plus-sons.com/software/CBF_NEXT_TEST_VERSION

with the source kit at

   http://www.bernstein-plus-sons.com/software/CBFlib_0.7.8_28Jul07.tar.gz

and the new dictionary at

   http://www.bernstein-plus-sons.com/software/CBF_NEXT_TEST_VERSION/doc
as html, and

 
http://www.bernstein-plus-sons.com/software/CBF_NEXT_TEST_VERSION/doc/cif_img_1.5.4.dic

as text

This 0.7.8.1 release has extensive revisions to the parser to
resolve a garbage collection problem, and has some corrections
to the validation logic in handling save frames.   The test suite
now includes a new program, sauter_test.C that run for a few
minutes at the end to the tests.  If top is run at the same time
you should see constant memory use of about 27.9 MB.  If any
other memory leaks are suspected, the flag -DCBFLIB_MEM_DEBUG
should be added to the compile parameters for a rebuild and
detailed information will be provided about memory allocations.

This 0.7.8 release was intended to improve support for the SLS 
Pilatus 6m detector, providing the program convert_minicbf.c in a 
form that agrees both
with the SLS comment header and with the new SLS text-field header.
The new cif_img 1.5.3 dictionary, which has now been updated
to 1.5.4, includes new tags:

_array_data.header_contents
_array_data.header_convention
_diffrn_data_frame.center_fast
_diffrn_data_frame.center_slow
_diffrn_data_frame.center_units
_diffrn_detector_element.reference_center_units
_diffrn_measurement.sample_detector_distance
_diffrn_measurement.sample_detector_voffset

The source repository is at

http://blondie.dowling.edu/projects/cbflib

under the SCM tab in the CBFlib_0.7.8 module.

Tarballs of both the source and the data files needed
for testing are under the Files tab under the CBFlib_0.7.8
heading.

CBFlib_0.7.7 remains available as the current production
release, but please note that there was a post-release
update to correct an error in writing byte offset files
with offsets of more than 16 bits that was uncovered
during the 0.7.8 development and posted against CBFLib
0.7.7 on 30 June 2007.

The kits include Makefiles that support both pre-gcc-4.2 gfortran
and gcc-4.2 gfortran as well as g95 and xlf.  Our thanks
to N. Darakev for the 4.2 adaptation.

Comments, corrections and suggestions would be appreciated.
We can get together to discuss the imgCIF workshops in conjunction with
BSR 2007 in Manchester and at Diamond in August (see
http://www.MEDSBIO.org/meetings).


-- 
=====================================================
  Herbert J. Bernstein, Professor of Computer Science
    Dowling College, Kramer Science Center, KSC 121
         Idle Hour Blvd, Oakdale, NY, 11769

                  +1-631-244-3035
                  yaya at dowling.edu
=====================================================