[Ifeffit] news and new releases
Bruce Ravel
ravel at phys.washington.edu
Mon Aug 30 13:51:11 CDT 2004
Hi folks,
I just uploaded a new source code tarball of Athena, Artemis, and
Hephaestus to SourceForge. This release includes several bug fixes
from the last couple of months and a few new features. An updater for
the Windows users should follow soon.
Here are the release notes on SF:
http://sourceforge.net/project/shownotes.php?release_id=264418
The highlights:
1. The first tarball with a version of the development branch. I'll
discuss this more in another message to the mailing list later
this afternoon.
2. You can now use CIF files for your crystallography data. I added
funtionality to one of the libraries associated with Atoms to
handle CIF files. This means than any program built off of those
libraries automatically reads CIF files. The one caveat is that
atoms and tkatoms will only read the first record in a
multi-record CIF file. Extracting a later record requires some
additional code at the level of the application rather than the
library. Artemis will pop up a dialog for selecting from a
multi-record CIF file. TkAtoms will not. You should consider the
CIF functionality experimental. There are some tricky parts and I
am not sure that my implementation will work in all situation.
Please contact me in person or via the list if you have any
trouble with CIF files.
3. A new look, a new utility, and several bug fixes in Hephaestus.
4. The horae_update script was updated to loop through the SF servers
until it finds one that responds with the tarball.
Special thanks this time to Dave Barton, my CIF implementation
borrowed heavily from his handy cif2inp tool. Dave also made a number
of good sugestions regarding Athena and Hephaestus. Also thanks to
Tony Lanzirotti and Sean Luo, both of whom reported significant bugs
that got fixed.
B
--
Bruce Ravel ----------------------------------- ravel at phys.washington.edu
Code 6134, Building 3, Room 405
Naval Research Laboratory phone: (1) 202 767 2268
Washington DC 20375, USA fax: (1) 202 767 4642
NRL Synchrotron Radiation Consortium (NRL-SRC)
Beamlines X11a, X11b, X23b
National Synchrotron Light Source
Brookhaven National Laboratory, Upton, NY 11973
My homepage: http://feff.phys.washington.edu/~ravel
EXAFS software: http://feff.phys.washington.edu/~ravel/software/exafs/
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