[sdpd] New ENDEAVOUR release (fwd)

[L.M.D.Cranswick... @dl.ac.uk (L. Cranswick)]

Information on the latest Update on the Endeavour Structure Solution 
software from Powder Diffraction Data follows.  Lachlan.

=======================================

Bonn, April 28th 1999

NEWS FOR REGISTERED ENDEAVOUR USERS

As you may have already seen from our Homepage, the ENDEAVOUR software was
updated recently. It can be downloaded from
http://www.crystalimpact.com/endeavour/ .
It's not necessary to register again.


The current version 0.9.2 contains the following changes and/or
improvements:

- Use of selected Bragg reflections I(hkl) instead of powder diffraction
pattern I(2theta) possible (new command "loadhklexp").

- Electron diffraction (kinematic model only, no calculation of dynamic
diffraction).

- Several new examples: Al2O3 (Corundum), CaCO3 (Calcite, Aragonite),
Mg2SiO4, MgCu2, SiO2 (Cristobalite), TiO2 (Rutile).

- Corrected an error in the protocol file after the optimization: In the
comparison of calculated and observed intensities I(calc) and I(exp) were
exchanged in the tabular heading.

- License is valid until 31.05.99.


New features in version 0.9.1:

- Neutron diffraction data may now be used (new parameter "radiation").

- New parameter "2thetamin" may be used in combination with "2thetamax" to
select a range of reflections that are used during the calculation.

- Geometry of diffraction experiment may be chosen (Debye-Scherrer or
Guinier; new parameters "geometry", "guinangle", "guind").

- Maximum number of different atom types has been increased to 10.

- Corrected an error in the na3obr.inp sample file ("loadpksexp" replaced by
"loadpdiffexp").

- Corrected an error when reading PKS-files containing upper case letters.


So far these news. I hope, that ENDEAVOUR meets your expectations. If you
have any suggestions or comments, please feel free to contact me or Dr.
Holger Putz at putz... @crystalimpact.com

Best regards

Michael Berndt

###################################
Dr. Michael Berndt
CRYSTAL IMPACT
K.Brandenburg & M.Berndt GbR
Postfach 1251
D-53002 Bonn
Germany
Phone: +49 - 228 - 735825
Fax: +49 - 228 - 739586
E-Mail: berndt... @crystalimpact.com
URL: http://www.crystalimpact.com
###################################




-- 
Lachlan M. D. Cranswick

Collaborative Computational Project No 14 (CCP14)
    for Single Crystal and Powder Diffraction
Daresbury Laboratory, Warrington, WA4 4AD U.K
Tel: +44-1925-603703  Fax: +44-1925-603124
E-mail: l.cranswick... @dl.ac.uk  Ext: 3703  Room C14
NEW CCP14 Web Domain (Under heavy construction):
                           http://www.ccp14.ac.uk