Karsten Burger's `Tübingen version' of the Maximum Entropy program
SMEED
This is the modified version of the Maximum Entropy program SMEED/SMEEDC of
Sakata et al. (Kumazawa, Kubota, Takata & Sakata, J. Appl. Cryst. (1993) 26,
453), of the additional MECO program, and of the FOURIER program written by
K. Burger as a supplement.
These programs may be used for all space-groups for the calculation of strictly
positive crystallographic density distributions, as e.g. electron and Patterson
densities.
Extensive documentation is available. The programs are supplied as a gzipped
tar-file for a UNIX computer, but other formats are available on request.
The programs are distributed together with the complete source code in
FORTRAN 77 and are free of charge for scientific applications.
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With SMEED (use SMEEDC for non-centrosymmetric samples) a strictly
positive MaxEnt-density of an asymmetric unit of a crystal sample can be
calculated.
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With MECO the whole crystal cell density can be reconstructed from the
resulting file, and sections and projections can be extracted and
saved as new files.
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With the additional FOURIER program one can do the corresponding simple
FOURIER calculation from the same input file as used in the MaxEnt calculation.
It may also be used as a stand-alone program.
(source code for UNIX, gzippedtar-file, 175KB)
(source code for PC, zipped file, 219 KB)