CDS email message - CDS/17/04/13/b

Sent 17 Apr 2013

CrystalWorks - Powder diffraction

A powder diffraction generator is now available within CrystalWorks.
This facility is provided via a link to the ICSD-WWW software. It uses
the code developed by P. Hewat and A.W. Hewat which makes use of the
Lazy Pulverix (Benjamin Nunes) program.

You can access this generator from what was the "Coordinates download"
sub-menu. This sub-menu has now been renamed "Coordinates and
Generators" to reflect this upgrade.

Also note that "DISTXR" output is now the first in the list of format
outputs. There have also been changes. The crystal space group symbol
(Hermann-Mauguin) and number are now given. The point group
(Schoenflies) is given for each unique atom position.

We also expect to have a Crystal Radial Distribution Calculator added
to CrystalWorks quite soon. This will be based on the CRAD program
which was made available as command line program on the old CDS
system. CRAD was of particular value to the EXAFS and other

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