Hi Nina,

tried a few ... for example
 (with mime type application/rdf+xml)

http://ambit.uni-plovdiv.bg:8080/ambit2/compound/3287/conformer/262287
http://ambit.uni-plovdiv.bg:8080/ambit2/compound/17611/conformer/262288
http://ambit.uni-plovdiv.bg:8080/ambit2/compound/3287/conformer/262287

I tried the same with Chemical mime type and got an sdf file ...

However I could not get a SMILE string anywhere in the response .... do I
have to do something else to get a smile string in a response ?

Also is there an easy way to get a set of molecules and their smiles. This
currently looks like I have to first get and iterate over the rdf model and
then send individual get requests (with chemical mime type) to get the SDF
file (how to get SMILE - i still dont know ...)

Thanks
Surajit

On Sat, Feb 20, 2010 at 1:01 AM, Nina Jeliazkova <nina at acad.bg> wrote:

>
> >
> > b) how do I retrieve the value contained in the Feature node in the
> > statement :
> >
> >                 RDFNode value = fv.getProperty(OT.value).getObject();
> >                 out.write(String.format("%s=%s\n",
> >                         //Feature
> >
> fv.getProperty(OT.feature).getObject().toString(),
> >                         //Value
> >                         value));
> >
> > Value is a string representation of the node like so
> > : Cc1ccc(N=Nc2c(O)ccc3ccccc23)c(c1)N(=O)O^^
> > http://www.w3.org/2001/XMLSchema#string
> >
> > I would like to retrieve the just the value (the smile string ...)
> >
> >
>
>     if (value.isLiteral() )
>       ((Literal) value).getString();
>
>
> will return the string value; there are similar functions for other data
> types.   But again, use it for data values, not chemical structures.
>
> Regards,
> Nina
>
>
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-- 
Surajit Ray
Partner
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