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>
<PC-Atoms_aid_E>3</PC-Atoms_aid_E>
<PC-Atoms_aid_E>4</PC-Atoms_aid_E>
<PC-Atoms_aid_E>5</PC-Atoms_aid_E>
<PC-Atoms_aid_E>6</PC-Atoms_aid_E>
<PC-Atoms_aid_E>7</PC-Atoms_aid_E>
<PC-Atoms_aid_E>8</PC-Atoms_aid_E>
<PC-Atoms_aid_E>9</PC-Atoms_aid_E>
<PC-Atoms_aid_E>10</PC-Atoms_aid_E>
<PC-Atoms_aid_E>11</PC-Atoms_aid_E>
<PC-Atoms_aid_E>12</PC-Atoms_aid_E>
<PC-Atoms_aid_E>13</PC-Atoms_aid_E>
<PC-Atoms_aid_E>14</PC-Atoms_aid_E>
<PC-Atoms_aid_E>15</PC-Atoms_aid_E>
<PC-Atoms_aid_E>16</PC-Atoms_aid_E>
<PC-Atoms_aid_E>17</PC-Atoms_aid_E>
<PC-Atoms_aid_E>18</PC-Atoms_aid_E>
<PC-Atoms_aid_E>19</PC-Atoms_aid_E>
<PC-Atoms_aid_E>20</PC-Atoms_aid_E>
<PC-Atoms_aid_E>21</PC-Atoms_aid_E>
</PC-Atoms_aid>
<PC-Atoms_element>
<PC-Element value="o">8</PC-Element>
<PC-Element value="o">8</PC-Element>
<PC-Element value="o">8</PC-Element>
<PC-Element value="o">8</PC-Element>
<PC-Element value="c">6</PC-Element>
<PC-Element value="c">6</PC-Element>
...
Egon Willighagen-4 wrote:
>
> On Tuesday 06 March 2007 10:01:42 Yann Mauon wrote:
>> As shown in some examples, I have implemented a short java code to read
>> SDF
>> files:
>>
>> sdfile= new BufferedReader (new FileReader(new File(fileName)));
>>
>> //use the CDK reader to extract an interating of molecule
>> Iterator iterator = new
>> IteratingMDLReader(sdfile,DefaultChemObjectBuilder.getInstance());
>>
>> But have some trouble to benefit of the iterating reader to parse xml and
>> asn files. Is there a way to do that ? To have a more generic iterating
>> reader ?
>
> What XML are you talking about here? CML, or the XML MDL SD file variant?
> The
> latter we do not support in the CDK at this moment.
>
> Egon
>
> --
> CUBIC
> blog: http://chem-bla-ics.blogspot.com/
>
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