Subject: Re: CCL:Re: CCL:OOP in Comp. Chemistry

From: [email-masked] (Henry Rzepa) (Henry Rzepa)
Date: Thu, 10 Feb 94 10:53:45 GMT

Leif Laaksonen  writes
>The thing I was interested in was the PRODUCT. Should we be producing
>programs in a more modular (object) basis which would make it easier
>to reuse and maintain the code or not? Instead of producing n-number
>of programs doing MCSCF or MP2 should we now produce plug in modules?
>Would it be absolutely impossible to agree about a common interface
>standard between modules (or even programs)?

Our effort was in modular Explorer (see http://argon.ch.ic.ac.uk/jmg/CRG.html)
Clearly, the thing could be extended to number crunching calculations!

>The other thing which surprises me a bit is the lack of interest in
>tools like WWW, Mosaic and Gopher. I think the biochemistry (no I'm
>not a biochemist) community has done a good job here.

Lack of interest? See the http ref above!!
I agree however. There are only a handful of www and gopher servers
dedicated to chemistry
in the world. I PREDICT that by the end of 1994, there will be >100 such www
servers in chemistry. Anyone give me any odds?

Henry Rzepa