hariaimar
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| /* | |
| * To change this template, choose Tools | Templates | |
| * and open the template in the editor. | |
| */ | |
| import java.io.File; | |
| import java.io.FileInputStream; | |
| import java.io.FileNotFoundException; | |
| import java.io.IOException; | |
| import java.util.Iterator; |
hariaimar
/ print descriptor into excel files.java
Created
February 16, 2011 12:08
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| import java.io.File; | |
| import java.io.FileInputStream; | |
| import java.io.FileNotFoundException; | |
| import java.io.IOException; | |
| import java.util.Iterator; | |
| import java.util.Map; | |
| import jxl.Workbook; | |
| import jxl.write.Label; | |
| import jxl.write.WritableSheet; | |
| import jxl.write.WritableWorkbook; |
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| /* | |
| * To change this template, choose Tools | Templates | |
| * and open the template in the editor. | |
| */ | |
| /* | |
| * ImageRenderer.java | |
| * | |
| * Created on Feb 1, 2011, 11:02:52 PM | |
| */ |
hariaimar
/ gist:779764
Created
January 14, 2011 15:49
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| import java.util.Iterator; | |
| import java.util.Map; | |
| import org.openscience.cdk.*; | |
| import org.openscience.cdk.exception.CDKException; | |
| import org.openscience.cdk.qsar.descriptors.molecular.*; | |
| import org.openscience.cdk.smiles.*; | |
| import org.openscience.cdk.qsar.*; | |
| import org.openscience.cdk.qsar.result.IDescriptorResult; | |
| /** |
hariaimar
/ gui for descriptor calculation
Created
January 14, 2011 09:14
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| import java.awt.Cursor; | |
| import java.awt.Dimension; | |
| import java.awt.Toolkit; | |
| import java.util.Iterator; | |
| import java.util.Map; | |
| import java.util.logging.Level; | |
| import java.util.logging.Logger; | |
| import javax.swing.table.DefaultTableModel; | |
| import org.openscience.cdk.DefaultChemObjectBuilder; | |
| import org.openscience.cdk.Molecule; |