Valence Checking

Hi Folks,





Wonder if there any mechanism to check for valence errors in a table of molecules using using Oracle Cartridge?





Cheers.





Peter





PS Know about valencecheck and hasvalenceerror methods in jChem Base / looking for something within the Cartridge iteself.

It is not currently available. It will be available in the next release scheduled for mid-March.

Peter,





JChem version 5.0.2 has been released including the requested feature.





Example:

Code:

SQL> select jc_evaluate_x('CCCCCCCC', 'chemTerms:hasValenceError()') from dual; JC_EVALUATE_X('CCCCCCCC','CHEMTERMS:HASVALENCEERROR()') -------------------------------------------------------------------------------- false SQL> select jc_evaluate_x('C[C](C)(C)(C)C', 'chemTerms:hasValenceError()') from dual JC_EVALUATE_X('C[C](C)(C)(C)C','CHEMTERMS:HASVALENCEERROR()') -------------------------------------------------------------------------------- true

Cheers,


Peter