From: Srinivas Jonnalagadda <srinivas.j@...>
Date: 2005-12-23T00:04:31+09:00
Subject: Re: Is there any chemistry-related ruby application?

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
>