Can jcman be used to import rxnfiles of rdfiles into a mysql

Is there a way to use jcman to import rdfiles or rxnfiles into a jchem-mysql table (i.e. a rxn database)? If not, is there some commandline utility to help?

Hi Steve,

You can import RXN or RDF files to reaction type or any type table. In addition we provide reaction search if you import mapped reactions. Note we have auto-mapper for non mapped reactions, but it is under refactoring.

See the relevant chapter of the admin guide: http://www.chemaxon.com/jchem/doc/admin/#create />and the  guide for reaction search: http://www.chemaxon.com/jchem/doc/user/query_reactionsearch.html

Regards, Edvard

Thanks! My rdfile was not importing because I had an empty $DATM field. I just added date text and we are good to go!

One variant on the original question - I like the  --nodup option, which seems to report the cd_id of the duplicate structure. Is there a way to get jcman to show the cd_id assigned to the rxn that was loaded?

Hi Steve,

unfortunately jcman cannot give back the imported cd_id-s, just the molecules with the --nonduplicates option.
I can add this request to the JChem 5.5 or 5.6 tasks and I will notify you if it is released.

Regards, Edvard

Thanks - in the meantime, I;ll just run it twice, and get the cd_id report from the second run ;) Not efficient, but effective....

Steve,

I'm glad you could find a way that works for you for now. 

Jon