User 46924c5277
18-12-2013 00:25:53
We're trying to replace the aging Accelrys Accord cartridge with the JChem cartridge for a client, and running into an issue.
Their structure table contains some structures with query/Markush features (mostly polymers and resins). We need to retain the ability to search for and index these structures using JChem, but I can't create the structure index on the table.
Attempting to create the index with the default values:
create index STRUCTURE_MOLFILE$x ON CHEM_STRUCTURE(STRUCTURE_MOLFILE) INDEXTYPE IS JCHEM.jc_idxtype;
gives the error
chemaxon.jchem.db.UpdateHandlerRowDataException: Inserting a query or Markush structure is not allowed for table: (SCHEMA.STRUCTURE_MOLFILE$X_JCX) with type:MOLECULES
From the documentation it appears that I should be able to specify a different type for the table that would allow query or Markush structures, but I can't get that to work either.
SQL> create index STRUCTURE_MOLFILE$x ON CHEM_STRUCTURE(STRUCTURE_MOLFILE) INDEXTYPE IS JCHEM.jc_idxtype PARAMETERS('structureType=markush');
create index STRUCTURE_MOLFILE$x ON CHEM_STRUCTURE(STRUCTURE_MOLFILE) INDEXTYPE IS JCHEM.jc_idxtype PARAMETERS('structureType=markush')
*
ERROR at line 1:
ORA-29855: error occurred in the execution of ODCIINDEXCREATE routine
ORA-20105: Descriptor name is too long. The maximum allowed length is 3.
ORA-06512: at "JCHEM.JCHEM_CORE_PKG", line 45
ORA-06512: at "JCHEM.JC_IDXTYPE_IM", line 29
I also tried telling it to allow any type of structures, which produces yet another kind of error:
SQL> create index STRUCTURE_MOLFILE$x ON CHEM_STRUCTURE(STRUCTURE_MOLFILE) INDEXTYPE IS JCHEM.jc_idxtype PARAMETERS('structureType=anyStructures');
create index STRUCTURE_MOLFILE$x ON CHEM_STRUCTURE(STRUCTURE_MOLFILE) INDEXTYPE IS JCHEM.jc_idxtype PARAMETERS('structureType=anyStructures')
*
ERROR at line 1:
ORA-29855: error occurred in the execution of ODCIINDEXCREATE routine
ORA-20101: Closing brace ('}') without opening
ORA-06512: at "JCHEM.JCHEM_CORE_PKG", line 45
ORA-06512: at "JCHEM.JC_IDXTYPE_IM", line 29
Neither of these latter errors gives me enough information to figure out what structure is causing the error or if there's a problem in the JCHEM schema itself.
Has anyone else run into this, and how did you get around it?
Has anyone else run into this, and how did you get around it?
Thanks,
Bob