Re: [OpenBabel-Devel] Silicos: Spectrophores ported under OB

2010-07-06 Thread Andrew Dalke
On Jul 6, 2010, at 11:58 AM, Geoffrey Hutchison wrote: > I have some general concerns about using GPLv2 "or later" with the Silicos > code right now, since it is currently covered by an expiring patent. I > suspect this would be an easy change once the patent expires next year. I see your point.

Re: [OpenBabel-Devel] Silicos: Spectrophores ported under OB

2010-07-06 Thread Geoffrey Hutchison
On Jul 6, 2010, at 12:26 AM, Andrew Dalke wrote: > It expect it will take about a decade to be a serious problem, but there's > no reason that new contributions can't using a "or any later version", > which would help reduce the severity of future problems. I have some general concerns about usi

Re: [OpenBabel-Devel] Silicos: Spectrophores ported under OB

2010-07-05 Thread Andrew Dalke
Hello, and thanks for your contribution to OpenBabel and to free software in general. On Jul 1, 2010, at 3:12 AM, Hans De Winter wrote: > 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: ... > This progra

Re: [OpenBabel-Devel] Silicos: Spectrophores ported under OB

2010-07-05 Thread Geoffrey Hutchison
Dear Hans, I want to thank you for your contribution -- I think it's a brave step forward, and I welcome you to the OB community. I think the Spectrophore code looks very interesting for a range of new fingerprint/descriptor techniques, and we definitely look forward to Pharao and Cosmos as wel

Re: [OpenBabel-Devel] Silicos: Spectrophores ported under OB

2010-07-01 Thread Noel O'Boyle
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 20

[OpenBabel-Devel] Silicos: Spectrophores ported under OB

2010-07-01 Thread Hans De Winter
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