Maximum-Entropy Program MEED, MEEDCAB und MEND
MEED is the enhanced version of the Maximum Entropy program
of Kumazawa et al. (1993). This program may be used for all
space-groups for the calculation of strictly positive crystallographic
density distributions, as e.g. electron and Patterson densities. The
new program MEEDCAB has the new type of constraints described
in Burger & Prandl (1998) for the case of structure factors determined
with anomalous scattering, with a remaining phase ambiguity. The
brand-new program MEND is for neutron scattering densities,
where also negative densities can occur. Additionally, a
FOURIER program is supplied, which can read the MaxEnt input
files.
Extensive documentation is available. The programs are
supplied as a gzipped tar-file for a UNIX computer, and as
zip-files. The programs are distributed together with manual and the
complete source code in FORTRAN 77 and are free of charge for
scientific applications.
References:
- S. Kumazawa, Y. Kubota, M. Takata & M. Sakata (1993). MEED, a
program package for electron-density-distribution calculation by the
Maximum Entropy method, J. Appl. Cryst. 26, 453-457.
- K. Burger, Neue Möglichkeiten der Kristallstrukturbestimmungen
..., Thesis, Universität Tübingen 1997, Deutschland. Inhvaltsverzeichnis (table of contents, ASCII-file)
/ Einführung (summary, PS-file)
- K. Burger, W. Prandl & S. Doyle (1997), Structure determination
from powder data using anomalous scattering ..., Z. Kristallographie
212, 493-505.
- Burger & Prandl, Acta. Cryst. A55, 719-728 (1999)
- Burger, Cox, Papoular & Prandl, 1998, J. Appl. Cryst. 31 (1998), 789-797
Download:
- MEED for UNIX, (gzipped tar-file, 362KB)
- MEEDCAB source code for UNIX, (gzipped tar-file, 52KB)
- MEND source code for UNIX, (gzipped tar-file, 231KB)
- MEED source code for PC, (zipped file, 450 KB); MEND source code for PC, (zipped file, 269 KB)
- Introduction to the Maximum Entropy programs, (WORD-file, 210 KB)
Versions are of May 1998 karsten_burger@gmx.de
Last updated: September 11, 2003