Re: [Cdk-user] making a chemical database

[Stefan K. <ste...@eb...>]

You would need to do the integration yourself. You put a form into your html 
page, this contains a text field. If a submit is done, you copy via JS the 
content of the applet (as mol file probably) to the test field. Your server 
reads the text field and does the search you intend to do. JCP as a such does 
not do search, it can't, it's a client side thing. The same is true about 
Marvin or any other applet.
Stefan


On Monday 26 October 2009 10:05:36 ramakaalia wrote:
> Thanks for replying. I browsed through cdk and found that i can use
> Fingerprinter and UniversalIsomorphismTester for substructure searching in
> my database(which currently has 50 compunds).
> How can I use this along with JCHEMPAINT so that if i load a mol file of
> query compound, i get all the similar compounds from the database. Right
> now, I can search a compund using cas no as query from my database through
> front end(html + jsp).
>
> Stefan Kuhn-3 wrote:
> > On Saturday 24 October 2009 05:14:43 ramakaalia wrote:
> >> Hi
> >> I am new to java and cdk. I am building a chemical database using mysql
> >> and
> >> developing a web application for it. For enabling sub structure
> >> searching in the database, what should i use - cdk or marvin sketch.
> >
> > MarvinSketch would only do the structure input. Alternative for this
> > would be
> > JChemPaint. For the substructure search as a such, you can use cdk code.
> > You
> > can try a cdk based substructure search at www.nmrshiftdb.org - tell me
> > if you want some info about this.
> > Stefan
> >
> >> And why? Any
> >> help or suggestion is appreciated. Sorry if the question sounds absurd.
> >
> > --
> > Stefan Kuhn B. Sc. M. A.
> > Software Engineer in the Chemoinformatics and Metabolism Team
> > European Bioinformatics Institute (EBI)
> > Wellcome Trust Genome Campus
> > Hinxton, Cambridge CB10 1SD UK
> > Phone +44 1223 49 2657
> > Fax +44 (0)1223 494 468
> >
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-- 
Stefan Kuhn B. Sc. M. A.
Software Engineer in the Chemoinformatics and Metabolism Team
European Bioinformatics Institute (EBI)
Wellcome Trust Genome Campus
Hinxton, Cambridge CB10 1SD UK
Phone +44 1223 49 2657
Fax +44 (0)1223 494 468