Hi
I have a sdf file that contains SD chemical structures and properties. I would like to select a few properties and write them to the different sdf file.
I tried:
column filter + sdf writer - the content of the output file was the same like the input file,
Sdf Extractor to extract mol + SDf insert + sdf writer - and again I got the same content like the input file,
then sdf extractor (MOL) + sdf writer - and again the same content.
If you have any ideas how I can do this, please help.
Anna
Are you sure, you are selecting the right column in the SD writer? Do the properties show up after the SDF Insert node in the out table?
The sdf reader-node will (by default) split the input file at the "$$$$"-lines and import anything between these lines into the molecule column (including the properties). Try "Extract CTab blocks" or "Extract Mol blocks" instead of "Extract SDF blocks" in the sdf reader-node.
Hi I have the same issue.
Whenever I do a column filtering before writing an SDF file, the produced SDF would always contains all the columns that were ever produced during the workflow regardless of the filtering. (In the workflow when I check I cannot see these columns)
Was there any solution for this issue?
Thank you very much.
Best,
Daniel