Hello team,
i want to delet some properties from a sdf file and generate a new sdf file without this properties.
I already use sdf Reader node and extract the properties which i dont want. but as i generate a new sdf file , these propterties are still inside. however after i extract the files from sdf reader and open the file, these properties are not shown in the table. olnly in new generated file.
can anyone help me?
Hi,
I can confirm this. I read an SDF file containing multiple property columns, but only select one of them to be read in, which is what happens, the corresponding table only has this property. In the SDF Writer node only the column I selectively read in is visible for writing.
After writing this SDF file and reading it back in, all the initial columns are back. This is most likely a bug in the SDF Writer node.
As a workaround you can convert your original SDF file to e.g. smiles using the MolConverter node from ChemAxon (not sure this is still free though), then use the Column Filter node to remove columns you don’t want to keep, and convert back to SDF. I tried this and the resulting SDF only had the properties I wanted to keep when reading it back in.
BW/Evert
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