Hi Mario, how big is the file? did you *add* properties to it or just modify existing values?
-greg On Fri, May 15, 2020 at 11:34 AM Mario Lovrić <mario.lovri...@gmail.com> wrote: > 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 >
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