All,

it is our pleasure to announce that Silicos NV, a Belgian-based company providing services in the field of computational drug discovery and virtual screening, has made a strategic decision to port its own developed software under the open source domain of Open Babel following the GNU GPL.

Porting Silicos' software under Open Babel will be done in three steps. The first of these will involve porting our Spectrophore code. The majority of the work on this has already been done and cross- checked with Tim Vandemeersch; we only need to finalize a standalone application and still have to provide some testing code. We anticipate this to be finalized next week and therefore hope that the Spectrophore code could be incorporated in the next major release of OB. A final issue however concerns an granted patent (WO2009146735) that protects the Spectrophore algorithm. We are aware that having a patent on an algorithm which is at the same time distributed as open source under the GNU GPL might be a difficult combination. Therefore we have decided to not further support this patent so that in the future their will be no issues on this anymore. However, in the meantime and until the time the patent has expired, we would like to guarantee potential users of the Spectrophore code that we will not issue patent infringment claims against individuals and institutions who use the Spectrophore software under the GNU General Public License. We plan to do this by including a modified header in the .h and .cpp files of the Spectrophore code. A proposal for this is given here:

/**********************************************************************
Spectrophore.h - Spectrophore(TM) calculator.
                 Declarations of OBSpectrophore

Copyright (C) 2005-2010 by Silicos NV

This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>

This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation version 2 of the License.

The algorithm in this software has been covered by patent WO2009146735.
However, Silicos NV and the inventors of the above mentioned patent assure
that no patent infringment claims will be issued against individuals or
institutions that use this software under the GNU General Public License.

This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
GNU General Public License for more details.
***********************************************************************/

Of course, we would like to get feedback from you so that we are sure that this would be sufficient. Please note that the term 'Spectrophore' has also been trademarked. However, we don't think this should be an issue for releasing the code under open source.

In a second phase, planned for mid-summer 2010, we intent to release our pharmacophore-based alignment tool Pharao under the OB environment. Finally, our de-novo design tool, called Cosmos(TM), will be release under OB somewhere near the end of the summer 2010.

The reason why we have made this strategic decision to port all our software to the open source domain is that we, as management of Silicos, strongly believe in an open innovation model, and open source is just one of these factors that make open innovation possible. For Silicos as a company, we believe that by actively participating and supporting the OB community, we could create more business in the form of services than we could otherwise.

Please feel free to comment.
Kind regards,

Hans De Winter
CSO Silicos NV
www.silicos.com

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