[Baypiggies] Motion | Andrew to speak on Scientific computing?

[Andrew Dalke]

On Oct 12, 2009, at 6:34 PM, jim wrote:
>    so far what we've got is tentative. this seems
> a good candidate for our november 19 meeting (the
> third, not the fourth thursday of november).

I would like to do this.

>    glen, can you run with this: is he really free
> to give this talk on that date?

I am, but I would like to know soon as I'm putting my Thanksgiving  
travel together now.


> seems to me we
> like talks with code examples and techniques: what
> important modules are there, any caveats to their
> use? got code snippet examples?


My plan was to cover some of the software involved in computational  
chemistry and biology, give an idea of a few of the basic problems  
from a programming sense, and perhaps some commentary about what it's  
like to develop software for scientists. It would be a modification  
of my EuroSciPy 2008 talk, at

   http://www.euroscipy.org/download/2008/ 
euroscipy2008_dalke_chemistry.pdf

As for code examples, there's not much I can show off since it really  
requires some knowledge of the science.

How much time would I have?

If Glen shows up then he could help show off some of the software  
involved. PyMOL makes for some great demos, but I haven't used it for  
much since I'm no longer in that subfield.


				Andrew
				dalke at dalkescientific.com