A bad example below...
Armel
================================================== From: "Crystal Impact" <[EMAIL PROTECTED]> To: "Crystal Impact Customers" <[EMAIL PROTECTED]> 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
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