[Joelib-devel] adding columns to the smiles output of Convert

[John B. <jb...@uc...>]

Hi,

I've gotten JoeLib to convert an SDF file to a Smiles file using the 
Convert program, but what is the best way to modify the default Smiles 
output? Specifically, there are extra data elements in the SDF file of 
the form...

    > <element1Name>
    element1Value

...beyond that needed to generate the Smiles, that I'd like to output 
unmodified as additional columns in the Smiles file:

    smileString   |   element1Value   |   element2Value   |   ...

Does JoeLib store these somewhere? Would I need to edit the source, or 
is there a standard way of changing output columns, such as editing the 
joelib.properies file?