Please can the Molecule Typecast node be improved to allow typecasting back from a molecule column (i.e. smiles, sdf etc) to a string column.
I have tried to do this with the Rename node with not much success.
Simon.
Simon,
I have had this problem in the past too, as the conversion appears to work until you try anything with the 'string' created. My workaround at the moment is to use a java snippet node with the very simple java code:
String r = $Structure$;
return r;
Configure it to return a string and replace the structure-containing column (here called 'Structure').
Is seems to work for SMILES and SMARTS - I don't know about mol/sdf, but I don't see why it shouldn't!
Steve
Many thanks Steve for the Java snippet syntax as I know very little about Java programming, this will come in very handy for when I need to do this.
Cheers,
Simon.