simple chemistry in python

Noel O'Boyle baoilleach at gmail.com
Wed Apr 30 08:47:30 CEST 2008


2008/4/30 Astan Chee <stanc at al.com.au>:
>
>  Wow, that is the jackpot.
>  Is that color node supposed to be the actual color of the element? or just
> representation?

Representation. There are certain de facto standards, such as blue for
nitrogen and so on. Google "CPK colors" for the origin of some of
these.

>  Thanks again
>  Astan
>
>  baoilleach wrote:
>  If you are familiar with parsing XML, much of the data you need is
> stored in the following file:
> http://bodr.svn.sourceforge.net/viewvc/*checkout*/bodr/trunk/bodr/elements/elements.xml?revision=34&content-type=text%2Fplain
>
> This file is part of the Blue Obelisk Data Repository, an effort by
> several chemistry software developers to share common information. If
> you have any further questions, please email blueobelisk-
> discuss at lists.sf.net.
>
> Noel
>
> On Apr 29, 8:48 am, Astan Chee <st... at al.com.au> wrote:
>
>
>  Hi,
> Im looking for a python module to do simple chemistry things. Things
> like, finding the name of elements given the atomic number (and vice
> versa); what state the given matter is in depending on certain
> parameters; maybe even color of certain elements or even calculating the
> result of combining certain elements.
> I was looking for something simple, but everything I see seems to be a
> full blown chemistry set.
> I know I can probably spend a day doing this one element at a time, but
> I was wondering if there is already something like this done in a small
> scale?
> Thanks for any information
> Astan
>
> --
> "Formulations of number theory: Complete, Consistent, Non-trivial. Choose
> two."
>
> Animal Logichttp://www.animallogic.com
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