Molecule location : ESPOIR 3.00

Armel Le Bail lebail at aviion.univ-lemans.fr
Mon Apr 17 03:10:48 EST 2000


The ESPOIR 3.00 Monte Carlo code can locate up to 4
independent "objets" (rigid fragments or molecules and/or
groups of independent atoms) from powder diffraction data :

http://sdpd.univ-lemans.fr/sdpd/espoir/

Additional commented examples are available at :

http://sdpd.univ-lemans.fr/sdpd/espoir/examples/

These new developments were sponsored by DuPont.
The Fortran source code remains available under the
GNU Public License.

Best,

Armel Le Bail - Universite du Maine, Laboratoire des Fluorures,
CNRS ESA 6010, Av. O. Messiaen, 72085 Le Mans Cedex 9, France
http://www.cristal.org/







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