Subject: Chemistry Software over Internet

From: [email-masked] (Klaus J.W.May)
Date: Fri, 5 May 1995 14:03:10 +0200

Hi Netters:

more and more companies go netsurfing.Mostly they have a www homepage and
present themselves. Some (very few) do now distribution of SW via Internet.

And here's my question: I am currently compiling a list of chemistry
related Software, available over Internet.
Do you have any suggestions, experiences, discovered or conceived problems ?
I'll post the compilation to the chemistry list, if wanted.

What I know, so far, is that some time ago a Company called "Megalon"
tried, But I have no idea, how this ended up.

Interactive Simulations offers SCULPT via
URL:  http://www.intsim.com/~isigen.

I recommed strongly to hack in there for everybody working with biomolecules!
Neat program, free demoversion. Does realtime minimizations for 600 bucks.
It's the one, which's development Dave and Jane Richardson guided.

PLEASE RESPOND DIRECTLY TO ME (if it's not of common interest): [email-masked]

Cheers
Klaus     %-)

Klaus J.W. May                     e-mail:          [email-masked]
May & Partner SciTech Consult      Phone/Fax:       xx49-(89) 333 569
Mandlstr. 15                       Mobile national: 0172-620 38 38
                                     international: xx49-172-620 30 38
D - 80802 Munich
GERMANY

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From: "J.K. Gregory" <[email-masked]>
Date: Fri, 5 May 1995 15:00:47 +0100 (BST)

I would like to know if there is an ab initio program that will allow me
to apply a static electric field to a molecule and still be able to
calculate derivatives. I want to calculate a reaction path in the presence
of a field and so I still need the derivatives. Cadpac can apply a field
but cannot do derivatives in this field. Many thanks in advance. 

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   | Jon Gregory                  Phone : +44 01223 336350 (direct) |
   | Department of Chemistry,     Fax   : +44 01223 336362          |
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