User adecf4403f
05-05-2015 13:44:11
MSAPlugin plugin6 = new MSAPlugin();
m = MolImporter.importMol("MEK");
plugin6.setMolecule(m);
plugin6.setpH(7.4);
plugin6.setSurfaceAreaType(SOLVENT);
plugin6.setSolventRadius(1.4);
plugin6.setDoublePrecision(2);
plugin6.run();
Hello, please somebody help me.
java.lang.NullPointerException
at chemaxon.calculations.clean.Cleaner.cleanMolGraph(Cleaner.java:265)
at chemaxon.calculations.clean.Cleaner.cleanMol(Cleaner.java:329)
at chemaxon.calculations.clean.Cleaner.clean(Cleaner.java:63)
at chemaxon.calculations.clean.Cleaner.clean(Cleaner.java:80)
at chemaxon.calculations.MolSurfaceArea.calc3DCoordinates(MolSurfaceArea.java:843)
at chemaxon.calculations.MolSurfaceArea.initCalc(MolSurfaceArea.java:266)
at chemaxon.calculations.MolSurfaceArea.calcSASA(MolSurfaceArea.java:209)
at chemaxon.marvin.calculations.MSAPlugin.run(MSAPlugin.java:222)
[catch] at cu.uci.samp.core.OutputTopComponent.jButton1ActionPerformed(OutputTopComponent.java:204)
at cu.uci.samp.core.OutputTopComponent.access$200(OutputTopComponent.java:54)
at cu.uci.samp.core.OutputTopComponent$3.actionPerformed(OutputTopComponent.java:113)
at javax.swing.AbstractButton.fireActionPerformed(AbstractButton.java:2022)
at javax.swing.AbstractButton$Handler.actionPerformed(AbstractButton.java:2346)
at javax.swing.DefaultButtonModel.fireActionPerformed(DefaultButtonModel.java:402)
at javax.swing.DefaultButtonModel.setPressed(DefaultButtonModel.java:259)
at javax.swing.plaf.basic.BasicButtonListener.mouseReleased(BasicButtonListener.java:252)
at java.awt.Component.processMouseEvent(Component.java:6525)
at javax.swing.JComponent.processMouseEvent(JComponent.java:3321)
at java.awt.Component.processEvent(Component.java:6290)
at java.awt.Container.processEvent(Container.java:2234)
at java.awt.Component.dispatchEventImpl(Component.java:4881)
at java.awt.Container.dispatchEventImpl(Container.java:2292)
at java.awt.Component.dispatchEvent(Component.java:4703)
at java.awt.LightweightDispatcher.retargetMouseEvent(Container.java:4898)
at java.awt.LightweightDispatcher.processMouseEvent(Container.java:4533)
at java.awt.LightweightDispatcher.dispatchEvent(Container.java:4462)
at java.awt.Container.dispatchEventImpl(Container.java:2278)
at java.awt.Window.dispatchEventImpl(Window.java:2739)
at java.awt.Component.dispatchEvent(Component.java:4703)
at java.awt.EventQueue.dispatchEventImpl(EventQueue.java:746)
at java.awt.EventQueue.access$400(EventQueue.java:97)
at java.awt.EventQueue$3.run(EventQueue.java:697)
at java.awt.EventQueue$3.run(EventQueue.java:691)
at java.security.AccessController.doPrivileged(Native Method)
at java.security.ProtectionDomain$1.doIntersectionPrivilege(ProtectionDomain.java:75)
at java.security.ProtectionDomain$1.doIntersectionPrivilege(ProtectionDomain.java:86)
at java.awt.EventQueue$4.run(EventQueue.java:719)
at java.awt.EventQueue$4.run(EventQueue.java:717)
at java.security.AccessController.doPrivileged(Native Method)
at java.security.ProtectionDomain$1.doIntersectionPrivilege(ProtectionDomain.java:75)
at java.awt.EventQueue.dispatchEvent(EventQueue.java:716)
at org.netbeans.core.TimableEventQueue.dispatchEvent(TimableEventQueue.java:159)
at java.awt.EventDispatchThread.pumpOneEventForFilters(EventDispatchThread.java:201)
at java.awt.EventDispatchThread.pumpEventsForFilter(EventDispatchThread.java:116)
at java.awt.EventDispatchThread.pumpEventsForHierarchy(EventDispatchThread.java:105)
at java.awt.EventDispatchThread.pumpEvents(EventDispatchThread.java:101)
at java.awt.EventDispatchThread.pumpEvents(EventDispatchThread.java:93)
at java.awt.EventDispatchThread.run(EventDispatchThread.java:82)