From: Jeff Wood <jeff.darklight@...>
Date: 2005-12-23T03:40:33+09:00
Subject: Re: Is there any chemistry-related ruby application?

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http://sciruby.codeforpeople.com

j.

On 12/22/05, Srinivas Jonnalagadda <srinivas.j@siritech.com> wrote:
>
> Dear all,
>
> A chemist colleague of mine and I are working on creating
> a set of cheminformatics tools. I have applied for a
> project registration at rubyforge.org.
>
> The project aims at providing a shell architecture for the
> tools. The data-holding classes, parsers, compute-engines
> and output formatters can all be developed independently.
> A mapper class does the appropriate 'include's of
> functionality into the respective data-holding classes.
>
> The first few computational tools have been developed, and
> are being tested for chemical correctness.
>
> The consumer code is mostly expected to be drivers that use
> these as library code. However, a sample driver code shall
> also be provided.
>
> We are also working on a README to get the scientist user
> started quickly.
>
> I shall post an update once we make a release on rubyforge.
>
> Best regards,
>
> JS
>
> Hanjo Kim wrote:
> > Hello, I'm new to ruby and this lists, and woking in cheminformatics
> field.
> >
> > I searched newsgroup and googled but find no chemistry-related ruby
> > application. Is there any chemistry-related application written in
> > ruby?
> >
> > In perl, I know that thera are many chemistry-related modules like
> > Chemistry::File::SDF, Chemistry::File::smiles, and so on.
> >
> > Any suggestion please.
> >
> > Thank you in advance.
> >
> > Hanjo Kim
> >
>
>


--
"Remember. Understand. Believe. Yield! -> http://ruby-lang.org"

Jeff Wood

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