On Sat, Mar 26, 2011 at 6:22 PM, Kyle Lutz <[email protected]> wrote:
> Hello Blue Obelisk,
>
> I'd like to introduce myself and my project to everyone on the list. My
> name is Kyle and I've recently released the chemkit library. It's an
> open-source (LGPL) C++ library for cheminformatics, molecular modelling and
> visualization. I would still consider it to be in the alpha stages of
> development but it has a good amount of functionality already and is growing
> everyday (~41kloc as of now).
>
Delighted to hear about this.
>
> I am very interested in the combination of computers and chemistry,
> especially with open-source software. This seems like a nice group of
> like-minded people and I look forward to interacting with everyone. I would
> like to know if there is any formal process of becoming a Blue-Obelisk
> member.
>
> No formal process. We try to keep in touch. As you are C++ the most likely
interaction is with OpenBabel and Avogadro - the main approaches are C++,
Python and Java.
We try not to reinvent the wheel but there is always a value in overlap.
This is particularly valuable in that it makes sure we are all getting the
same answers. Different codes find different niches
Anyway, here is some more information about chemkit:
> Web Page: http://www.chemkit.org
> API Documentation: http://doc.chemkit.org/api/
>
> Pictures look very nice.
Welcome and don't hesitate to ask anybody anything. The main challenge we
have is persuading the world that Open Source / Data / Standards is
valuable. Some are supportive, many are neutral, some are antagonistic. A
lot of people use our codes without us knowing - there's nothing wrong in
that but it means we don't get feedback. But gradually month by month our
critical mass increases.
P.
> And here is some more information about me:
> Blog: http://kylelutz.blogspot.com
> GitHub: https://github.com/kylelutz
>
> Thanks everyone,
> Kyle Lutz
>
>
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--
Peter Murray-Rust
Reader in Molecular Informatics
Unilever Centre, Dep. Of Chemistry
University of Cambridge
CB2 1EW, UK
+44-1223-763069
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be a part of the solution? Download the Intel(R) Manageability Checker
today! http://p.sf.net/sfu/intel-dev2devmar
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