Thanks Hans, I'm looking forward to seeing this code in action.
I didn't realise you had some pharmacophore and de novo design software on the way. I have an interest in (developing) pharmacophore software myself, and in drug design in general so this looks very interesting. - Noel On 1 July 2010 09:12, Hans De Winter <[email protected]> wrote: > 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 > > ------------------------------------------------------------------------------ > This SF.net email is sponsored by Sprint > What will you do first with EVO, the first 4G phone? > Visit sprint.com/first -- http://p.sf.net/sfu/sprint-com-first > _______________________________________________ > OpenBabel-Devel mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/openbabel-devel > > ------------------------------------------------------------------------------ This SF.net email is sponsored by Sprint What will you do first with EVO, the first 4G phone? Visit sprint.com/first -- http://p.sf.net/sfu/sprint-com-first _______________________________________________ OpenBabel-Devel mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/openbabel-devel
