Subject: Re: CCL:New year -> new ideas for chemistry software

From: Anita Ilze Zvaigzne <[email-masked]>
Date: Sun, 10 Jan 1999 19:28:55 -0600 (CST)

On Wed, 6 Jan 1999, Ferenc Csizmadia wrote:
> I would like to know your opinion about future trends in chemical
> software development. What will be the hottest topics in the near   
> future? What are the areas that need new approaches from program
> developers?
> =====
> 
> It seems nearest future trends in chemistry are more or less visible. 
> To make it short: Biology, Biochemistry and related topics.
> 
   With regard to this discussion, I would like to add that the REASON why
computational approaches and software are so enticing in biology,
biochemistry, etc. is because of the difficulty in obtaining high-quality
experimental data -- quickly and at low cost.  The suggestion was made
later in this discussion that if one wanted to start a new software
project that one should look at structural biochemistry.

   I don't think that someone starting a new software project should
necessarily limit themselves to this one area.  There are many pressing
needs in biology, biochemistry and molecular medicine OTHER than in
structural modeling.  There are many pressing needs in other areas of
chemistry and engineering.  Certainly, a software developer should also
NOT neglect to examine the development of low-cost "user-friendly" 
software for data acquistion and control of analytical and chemical
instrumentation.

   If profit and funding are the sole criteria for determining what
software/computational project to start, then our accomplishments as
scientists are doomed.  I don't think that someone starting a new project
should fall victim to the "bandwagon effect".  From a business
standpoint, it is difficult for a new software developer to break into a
saturated market.  It seems that profit and funding are the result of how
we PROMOTE the results or application of the work to a potential grant
agency, industrial user, etc.  Our prime consideration in the work done
should be how IMPORTANT is the problem solved or the application.

Respectfully,
Anita I. Zvaigzne