On Wed, Dec 21, 2011 at 1:00 AM, Geoffrey Hutchison <geo...@pitt.edu> wrote:
> This e-mail has been long delayed. As 2011 draws to a close, Open Babel is 
> over 10 years old! At this point, it's used by over 40 open source projects, 
> downloaded over 200,000 times, and been used in over 400 academic papers. And 
> of course, there have been 15 releases and dozens of contributors.
>
<snip>
>
> The idea is that an Open Babel v3, and other toolkits, can be built on top of 
> MolCore. Some level of code modularity will also make it easier to integrate 
> between multiple toolkits.
>
> The problem has been to get the ball rolling, particularly since I haven't 
> had much time to write code myself. The good news is that pieces are falling 
> into place, so if you're interested in helping out, please let me know.
>
Thanks for getting the ball rolling on this one Geoff. For any of my
contributions they can of course be re-licensed. I moved to Kitware to
pursue the further development of open chemistry software, and was
recently awarded a Phase II SBIR. Kitware has a long history (over a
decade) of developing open toolkits and applications using open
permissive licenses.

The SBIR gives us a couple of years to really engineer the components
needed for cross-platform open chemistry. What we develop will be
released under permissive licenses, such as the 3-clause BSD license,
and developed in the open. We are also bringing the Kitware software
quality process to this work, writing tests and running them daily on
multiple platforms and compilers.

I want to make these projects community efforts, and MolCore is a very
good fit with the project we are working on here. I think we have a
real opportunity to build something for the entire community, and it
will be better with community participation. I am on the MolCore and
Open Babel development lists, among others, please let us know if
there are other places we should be subscribed to.

In the Quixote work we had weekly Skype meetings, I wonder if that (or
Google hangouts) might be useful for people who could make it to them
too for a little real time communication.

Marcus

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