cant not save structure correctly?

Hi,

   I failed to save structure by Jchembase API.  The failed sturcture file as attached.

  JChemManager version:  5.2.6    Table type: Molecules       database: sql server 2008

  java code exception info: 
 chemaxon.jchem.db.UpdateHandlerException: Inserting a query or Markush structure is not allowed for table: "webshop_structure"
 at chemaxon.jchem.db.UpdateHandler.readMolecule(UpdateHandler.java:1336)
 at chemaxon.jchem.db.UpdateHandler.init(UpdateHandler.java:1107)
 at chemaxon.jchem.db.UpdateHandler.execute(UpdateHandler.java:2200)
 at com.founder.yacoo.webshop.dao.hibernate.CompoundDAOHibernate.saveStructure(CompoundDAOHibernate.java:72)
 at com.founder.yacoo.webshop.service.impl.ProductServiceImpl.saveCompound(ProductServiceImpl.java:125)
 at sun.reflect.NativeMethodAccessorImpl.invoke0(Native Method)
 at sun.reflect.NativeMethodAccessorImpl.invoke(NativeMethodAccessorImpl.java:39)
 at sun.reflect.DelegatingMethodAccessorImpl.invoke(DelegatingMethodAccessorImpl.java:25)
 at java.lang.reflect.Method.invoke(Method.java:597)
 at org.springframework.aop.support.AopUtils.invokeJoinpointUsingReflection(AopUtils.java:307)
 at org.springframework.aop.framework.ReflectiveMethodInvocation.invokeJoinpoint(ReflectiveMethodInvocation.java:182)
 at org.springframework.aop.framework.ReflectiveMethodInvocation.proceed(ReflectiveMethodInvocation.java:149)
 at org.springframework.transaction.interceptor.TransactionInterceptor.invoke(TransactionInterceptor.java:106)
 at org.springframework.aop.framework.ReflectiveMethodInvocation.proceed(ReflectiveMethodInvocation.java:171)
 at org.springframework.aop.framework.JdkDynamicAopProxy.invoke(JdkDynamicAopProxy.java:204)
 at $Proxy26.saveCompound(Unknown Source)
................................. 

thank you very much!

best regards!

Andy

Hi Andy,

Probably your structure file contains molecules wirh query options or Markusf features.
These structures can be imported to 'any', 'query' or 'markush' table types.
Please try to import your compounds to a table which type can apply the special structures.

Regards, Edvard.

Hi,ebuki,

The product has been deployed already, and it's not good to re-build the database since the data is real now.

Is there any other way to save the structure?

    Thank you very much!

   best regards!

andy

Hi,

unfortunately you cannot import query or markush molecules to a 'molecule' table.

The most right way would be if you omit the query molcule(s) from the import, enumerate it/them and import the enumerated molecules.

If you want to keep the original molecule, try to create a new 'any' type JChem table and copy the data from the original database, import new data and bind the program to this database.

Best Regards, Edvard