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[sdpd] Where we go with monopolistic licensed databases
A bad example below...
Armel
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From: "Crystal Impact" <info...@crystalimpact.de>
To: "Crystal Impact Customers" <info...@crystalimpact.com>
Subject: Next Endeavour version without Hofmann potential
Date: Tue, 6 Jul 2004 11:11:01 +0200
Dear customers,
in our previous e-mail (dated June 26, 2004) we announced the next Endeavour
version 1.3 to include the so-called "Hofmann-potential" for structure
solution. This potential has been derived by Dr. Detlef Hofmann (University
of Frankfurt, Germany) from crystal structure data obtained from the
well-known Cambridge Structural Database (CSD), produced by the CCDC
(Cambridge Crystallographic Data Centre). The potential and its excellent
results in the structure predicition for rigid organic molecules is
described in several scientific papers, e.g. [1-3].
[1] D. Hofmann, T. Lengauer, Acta Cryst. A53, 225 (1997).
[2] J. Apostolakis, D.W.M. Hofmann, T. Lengauer, Acta Cryst. A57, 442
(2001).
[3] D.W.M. Hofmann, J. Apostolakis, J.Mol.Struc.(Theochem) 647, 17 (2003).
Supported by Dr. Hofmann, we have implemented the potential in autumn last
year and succesfully tested it since then.
Yesterday we received an e-mail from Dr. Hofmann indicating that the CCDC
will not allow the distribution of the potential to people which are not
licensees of the CSD, due to the fact that the potential has been derived
from CSD data. Since we cannot check if customers have a CSD license (at
least not in context with a "minor update" of Endeavour version 1.2 to 1.3
which can be downloaded by everyone for free), we have to discard using the
Hofmann-potential for the time being.
The remaining enhancement in the next Endeavour version is an improved
calculation of the pattern difference, leading to higher structure solution
success rates especially for crystal structures consisting of single atoms.
Compared to the inclusion of the Hofmann-potential, this is a minor
improvement, so we decided to call the new Endeavour version "1.2c" instead
of "1.3". The new Endeavour version 1.2c will be released on July 23, 2004
as announced.
Please apologize for this inconvenience
K. Brandenburg & H. Putz
***************************************
Crystal Impact
Dr. K. Brandenburg & Dr. H. Putz GbR
Postfach 12 51
53002 Bonn
Germany
Tel . : +49-228-9813643
Fax : +49-228-9813644
E-mail: putz...@crystalimpact.com
Web : http://www.crystalimpact.com
***************************************
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