The original file is around 25MB.

I changed the content in the dataframe (from sdf) and wrote:

PandasTools.WriteSDF( dataframe, 'path',
                    properties= dataframe .columns,
                    idName='ID')


Thanks, Mario

On Tue, May 19, 2020 at 9:13 AM Greg Landrum <greg.land...@gmail.com> wrote:

> 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
>>
>

-- 
Mario Lovrić
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