Re: [Joelib-help] draw molecule

[Andreas M. <ma...@in...>]

On Fri, May 21, 2004 at 11:17:50AM +0200, Joerg K. Wegner wrote:
> Hi Andreas,
> 
> please try
> joelib.gui.render.MoleculeViewer2D
> 
> Have a look at the main method and for details:
> display(JOEMol molecule, String _title,
>         JOESmartsPattern smarts, String eTransfer, String retroSynth,
>         String conjRing, String labels)
> 

Hi Joerg,

I tried like this:

import joelib.molecule.*;
import joelib.smiles.*;
import joelib.gui.render.*;


public class SmilesSmartsViewer {

	public static void main(String[] args) {
		 
		 // obtain smiles string and create mol object
		 String smiles="C1CCCCC1";	// the smiles string
		JOEMol mol=new JOEMol();	// create new mol-object
		 
		 // convert mol object to represent the smiles information
		 if (!JOESmilesParser.smiToMol(mol, smiles, smiles))
		 {
		   System.err.println("SMILES entry \"" + smiles + "\" could not be loaded.");
		 }
		
		// display mol object
		MoleculeViewer2D.display(mol);
	}
}


Output is as follows here:

log4j:WARN No appenders could be found for logger (joelib.io.IOType).
log4j:WARN Please initialize the log4j system properly.
 t1 t2 t3 t4 t5 t6
 t1 t2 t3 t4 t5 t6
 t1 t2 t3 t4 t5 t6
 t1 t2 t3 t4 t5 t6
 t1 t2 t3 t4 t5 t6
 t1 t2 t3 t4 t5 t6
 t1 t2 t3 t4 t5 t6
frag 0 has 6 atoms
 t1 t2 t3 t4 t5 t6

A window opens but remains blank!
What's the error?

Kind regards,

Andreas