Re: [Cdk-devel] help in MoleculeListViewer class

[gilleain t. <gil...@gm...>]

Weirdly enough, this code works for me on windows. What operating
system are you using?

gilleain torrance

On Mon, Oct 6, 2008 at 4:04 PM, Rajarshi Guha <rg...@in...> wrote:
> You could take a look at
>
> http://cheminfo.informatics.indiana.edu/~rguha/code/java/#depict
>
> On Oct 6, 2008, at 6:47 AM, Bipin Bihari wrote:
>
>> Dear sir,
>>      I needed the coordinate of a molecule and wanted to display on
>> MoleculeListViewer, there were no error and I got the Panel for
>> MoleculeListviewer but there were no structure of molecule, it was
>> blank.
>> The program is give below and the same is attached.
>> I am using jdk1.6.
>> Please guide me what correctios are needed?
>>
>> package org.openscience.cdk.myPackage;
>>
>> import org.openscience.cdk.smiles.SmilesParser;
>> import org.openscience.cdk.interfaces.IMolecule;
>> import org.openscience.cdk.Molecule;
>> import org.openscience.cdk.layout.StructureDiagramGenerator;
>> import org.openscience.cdk.applications.swing.MoleculeListViewer;
>> import org.openscience.cdk.applications.swing.MoleculeViewer2D;
>> import org.openscience.cdk.exception.CDKException;
>>
>> public class MyMoleculeViewer
>> {
>>         public MyMoleculeViewer()
>>         {
>>                 SmilesParser smileParser = new SmilesParser();
>>                 MoleculeListViewer moleculeListViewer = new
>> MoleculeListViewer();
>>                 String smiles = new String("c1ccccc1");
>>                 try
>>                 {
>>                         IMolecule molecule = smileParser.parseSmiles
>> (smiles);
>>                         StructureDiagramGenerator
>> structureDiagramGenerator = new
>> StructureDiagramGenerator();
>>                         MoleculeViewer2D moleculeViewer2D = new
>> MoleculeViewer2D();
>>                         structureDiagramGenerator.setMolecule
>> ((Molecule)molecule.clone());
>>
>> structureDiagramGenerator.generateCoordinates();
>>                         moleculeViewer2D.setAtomContainer
>> (structureDiagramGenerator.getMolecule());
>>                         moleculeListViewer.addStructure
>> (moleculeViewer2D,
>> "Structure");
>>                 }
>>                 catch(Exception e)
>>                 {
>>                         e.printStackTrace();
>>                 }
>>         }
>>
>>         public static void main(String args[])
>>         {
>>                 new MyMoleculeViewer();
>>         }
>> }
>>
>> thanks
>> bipin
>> ---------------------------------------------------
>> Bipin Bihari,
>> Student(PGDB),
>> Institute of Bioinformatics and Applied Biotechmology(IBAB),
>> G-05, Tech Park Mall, ITPB, White field road,
>> Bangalore, Karnatka-560066,
>> India.
>> ---------------------------------------------------
>> <MyMoleculeViewer.java>-----------------------------------------------
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>
> -------------------------------------------------------------------
> Rajarshi Guha  <rg...@in...>
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> -------------------------------------------------------------------
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>
>
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