Dear all,

I have loaded a SDF file (lets call it file1) with PandasTools, corrected
some properties and wrote it with PandasTools to SDF again (file2).
Have two issues there:

1st)
file2 had additional integers added to properties tags:

>  <Formula>  (2)
>  <FW>  (2)
>  <DSSTox_CID>  (2)
>  <smiles>  (2)

2nd)
file2 is impossible to load again, it is eating up my CPU and RAM like crazy
file1 is usually loaded within 30 seconds

Any recommendations there? Is there something I didnt consider?
Thanks
-- 
Mario Lovrić
_______________________________________________
Rdkit-discuss mailing list
Rdkit-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss

Reply via email to