NCI ~ 250k, 2D>3D coordinate generation example

NCI structure set (Aug 2000), 2D > 3D coordinate generated (100% conversion) using Conformer Calculator Plugin.





Structures managed by JChem and displayed with Marvin.





http://pitanic.chem.elte.hu:8081/jchem/examples/jsp1_x/index.jsp

Tried to connect, but failed.


Tobias





Communications link failure due to underlying exception: ** BEGIN NESTED EXCEPTION ** java.net.SocketException MESSAGE: java.net.ConnectException: Connection refused STACKTRACE: java.net.SocketException: java.net.ConnectException: Connection refused at com.mysql.jdbc.StandardSocketFactory.connect(StandardSocketFactory.java:156) at com.mysql.jdbc.MysqlIO.(MysqlIO.java:283) at com.mysql.jdbc.Connection.createNewIO(Connection.java:2541) at com.mysql.jdbc.Connection.(Connection.java:1474) at com.mysql.jdbc.NonRegisteringDriver.connect(NonRegisteringDriver.java:264) at java.sql.DriverManager.getConnection(DriverManager.java:525) at java.sql.DriverManager.getConnection(DriverManager.java:171) at chemaxon.util.ConnectionHandler.setConnected(ConnectionHandler.java:206) at chemaxon.util.ConnectionHandler.connect(ConnectionHandler.java:246) at org.apache.jsp.seltable_jsp._jspService(seltable_jsp.java:146) at org.apache.jasper.runtime.HttpJspBase.service(Unknown Source) at javax.servlet.http.HttpServlet.service(HttpServlet.java:853) at org.apache.jasper.servlet.JspServletWrapper.service(Unknown Source) at org.apache.jasper.servlet.JspServlet.serviceJspFile(Unknown Source) at org.apache.jasper.servlet.JspServlet.service(Unknown Source) at javax.servlet.http.HttpServlet.service(HttpServlet.java:853) at org.apache.catalina.core.ApplicationFilterChain.internalDoFilter(Unknown Source) at org.apache.catalina.core.ApplicationFilterChain.doFilter(Unknown Source) at org.apache.catalina.core.StandardWrapperValve.invoke(Unknown Source) at org.apache.catalina.core.StandardPipeline$StandardPipelineValveContext.invokeNext(Unknown Source) at org.apache.catalina.core.StandardPipeline.invoke(Unknown Source) at org.apache.catalina.core.ContainerBase.invoke(Unknown Source) at org.apache.catalina.core.StandardContextValve.invoke(Unknown Source) at org.apache.catalina.core.StandardPipeline$StandardPipelineValveContext.invokeNext(Unknown Source) at org.apache.catalina.core.StandardPipeline.invoke(Unknown Source) at org.apache.catalina.core.ContainerBase.invoke(Unknown Source) at org.apache.catalina.core.StandardContext.invoke(Unknown Source) at org.apache.catalina.core.StandardHostValve.invoke(Unknown Source) at org.apache.catalina.core.StandardPipeline$StandardPipelineValveContext.invokeNext(Unknown Source) at org.apache.catalina.valves.ErrorDispatcherValve.invoke(Unknown Source) at org.apache.catalina.core.StandardPipeline$StandardPipelineValveContext.invokeNext(Unknown Source) at org.apache.catalina.valves.ErrorReportValve.invoke(Unknown Source) at org.apache.catalina.core.StandardPipeline$StandardPipelineValveContext.invokeNext(Unknown Source) at org.apache.catalina.core.StandardPipeline.invoke(Unknown Source) at org.apache.catalina.core.ContainerBase.invoke(Unknown Source) at org.apache.catalina.core.StandardEngineValve.invoke(Unknown Source) at org.apache.catalina.core.StandardPipeline$StandardPipelineValveContext.invokeNext(Unknown Source) at org.apache.catalina.core.StandardPipeline.invoke(Unknown Source) at org.apache.catalina.core.ContainerBase.invoke(Unknown Source) at org.apache.coyote.tomcat4.CoyoteAdapter.service(Unknown Source) at org.apache.coyote.http11.Http11Processor.process(Unknown Source) at org.apache.coyote.http11.Http11Protocol$Http11ConnectionHandler.processConnection(Unknown Source) at org.apache.tomcat.util.net.TcpWorkerThread.runIt(PoolTcpEndpoint.java:565) at org.apache.tomcat.util.threads.ThreadPool$ControlRunnable.run(ThreadPool.java:619) at java.lang.Thread.run(Thread.java:595) ** END NESTED EXCEPTION ** Last packet sent to the server was 2 ms ago.

Thanks for reporting, sorry for not tracking - this was fixed a while ago.