I also have to read an ASN file, so it coulb be a good idea... the trick is
now to put my asn file in the IteratingMDLReader engine...


Egon Willighagen-4 wrote:
> 
> On Tuesday 06 March 2007 12:09:30 Yann Mauon wrote:
>> Thanks for your answer. In fact, I'm talking about xml (or asn) file
>> provided by nist at the following format :
>>
>>  <PC-Compound>
>>     <PC-Compound_id>
>>       <PC-CompoundType>
>>         <PC-CompoundType_id>
>>           <PC-CompoundType_id_cid>2244</PC-CompoundType_id_cid>
>>         </PC-CompoundType_id>
>>       </PC-CompoundType>
>>     </PC-Compound_id>
>>     <PC-Compound_atoms>
>>       <PC-Atoms>
>>         <PC-Atoms_aid>
>>           <PC-Atoms_aid_E>1</PC-Atoms_aid_E>
>>           <PC-Atoms_aid_E>2</PC-Atoms_aid_E>
> 
> BTW, this rather looks like the format used by PubChem. CDK does have a
> basic 
> reader for files in the PubChem ASN syntax. Maybe that's a viable
> alternative 
> for you.
> 
> Egon
> 
> 
> -- 
> CUBIC
> blog: http://chem-bla-ics.blogspot.com/
> 
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