[BlueObelisk-discuss] Introduction

[Kyle Lutz]

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).

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.

Anyway, here is some more information about chemkit:
Web Page: http://www.chemkit.org
API Documentation: http://doc.chemkit.org/api/

And here is some more information about me:
Blog: http://kylelutz.blogspot.com
GitHub: https://github.com/kylelutz

Thanks everyone,
Kyle Lutz

[Peter Murray-Rust]

Post by Kyle Lutz
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.

Post by Kyle Lutz
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

Post by Kyle Lutz
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.

Post by Kyle Lutz
Blog: http://kylelutz.blogspot.com
GitHub: https://github.com/kylelutz
Thanks everyone,
Kyle Lutz
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[Jason Vertrees]

Greetings,

I just officially joined and would like to briefly introduce myself.
My name is Jason Vertrees, and for the last year I've been the PyMOL
product manager. The core of PyMOL is an open-source system for
molecular visualization. Our project page is, http://pymol.sf.net and
our overall home page is http://pymol.org.

It was a pleasure having dinner with everyone tonight and I look
forward to lots of fruitful open-source discussions.

Cheers,

-- Jason