Setting up a molecular Chemistry Search tool

[The Doctor]

I am looking for a tool that whould search structures and partials
on a chemistry catalogue/database. I am reading up on a paper from
Austria, but I would like to avoid Pascal.

C / C++ / Perl referred.

Zny suggestions. Please e-mail me as I rarely read these lists.
--
Member - Liberal International
This is doctor@nl2k.ab. ca Ici doctor@nl2k.ab. ca
God Queen and country! Beware Anti-Christ rising!
insert you thought here.

[Mark Parnell]

Re: Setting up a molecular Chemistry Search tool

Previously in comp.infosystem s.www.authoring.html,sci.chem, The Doctor
<doctor@doctor. nl2k.ab.ca> said:
[color=blue]
> Please e-mail me as I rarely read these lists.[/color]

Why you shouldn't ask for E-mail responses on Usenet:

http://www.cs.tut.fi/~jkorpela/usenet/mail-responses.html

--
Mark Parnell

http://www.clarkecomputers.com.au

[Uncle Al]

Re: Setting up a molecular Chemistry Search tool

The Doctor wrote:
[snip]
[color=blue]
> Member - Liberal International
> This is doctor@nl2k.ab. ca Ici doctor@nl2k.ab. ca
> God Queen and country! Beware Anti-Christ rising!
> insert you thought here.[/color]

You left no room for thought.

--
Uncle Al

http://www.mazepath.com/uncleal/

(Toxic URL! Unsafe for children and most mammals)

http://www.mazepath.com/uncleal/qz.pdf

[muha]

Re: Setting up a molecular Chemistry Search tool

there are commercial programs to do that. Why are you trying to
re-invent wheel? Try MDL-ISIS database, works fine. Avoid Daylight
database.

There are even some Java applets from Cambridgesoft, free of charge.

[Ron Jones]

Re: Setting up a molecular Chemistry Search tool

The Doctor wrote:[color=blue]
> I am looking for a tool that whould search structures and partials
> on a chemistry catalogue/database. I am reading up on a paper from
> Austria, but I would like to avoid Pascal.
>
> C / C++ / Perl referred.
>
> Zny suggestions. Please e-mail me as I rarely read these lists.[/color]

It's been done. Long ago, why re-invent the wheel???
IsisDraw / IsisBase by MDL
ChemDraw / ChemFinder by Cambridgesoft
Also Accord by Accelrys - IIRC plug-ins for Excel and Access that allow
structure searching.

The searching part is easy, it's the way to define and check the chemistry
that's tricky

--
--
Ron Jones

Don't repeat history, see unreported near misses in chemical lab/plant
at http://www.crhf.org.uk