Field Names on Import

Hi,

Firstly, thanks for being so helpful in the past! I have
another possibly silly question. I'm trying to do an import of a SMILES
file using JChemManager into a MySQL database. Is there some specific
way to indicate what is a field name? Jcman catches my first field name
no problem but seems to blow by the second one no matter how I name it,
where I put it, or any of that. The file simply looks like this:

smiles 
catNum  catName

CN1CCN(CC1)c2cc3c(cc2F)S(=O)(=O)C=C(N3)c4ccccc4 13066 acb

catNum
is located (and linked) no problem, but catName is ignored.

Thank
you!

Lauren

Hi,

Could you report your JChem version please (as required for all support requests) so we can investigate ?

Until then a quick tip: if there is no header (no field names) you should see fields with enumerated names like field_0, field_1 ... etc.

Best regards,

Szilard

Sorry! We're using version 5.3.0.2.

I tried using smiles field_0 field_1 with no luck, but when I changed them to field field_0 field_1 it recognized the different fields, but failed on import with this error (which seems to be because of the association of "field" with the SMILES):

"chemaxon.jchem.db.TransferException: chemaxon.util.concurrent.procesors.WorkUnitException: chemaxon.formats.MolFormatException:Cannot recognize format (?) Unrecognized file contents: field"

Thank you!

Hi Lauren,

 

Are you using the JChem Manager GUI application or the jcman command line executable?

Can you give us more details (specific command line arguments or buttons clicked, tables created, etc.)?

This should be helpful in identifying the problem.

Thanks,

Jon

Lauren,

If your problem is that the JChem Manager Application can only see Field0, then be sure to check your smiles files have tabs between the columns and not simple spaces. 

Does this help?

Jon

Thank you so much for helping! I feel silly - it was just spaces instead of tabs. It works perfectly now. Thanks again!

Lauren