Re: [Rdkit-discuss] Drawing quality image with PandasTools.FrameToGridImage

[Greg Landrum]

Taka diagnosed this correctly. Here's the issue:
https://github.com/rdkit/rdkit/issues/2380

It will be fixed in the next release.

Thanks for pointing it out!
-greg


On Fri, Mar 29, 2019 at 6:19 AM Taka Seri  wrote:

> Hi Diallo,
>
> I could reproduce it. It seems MolsToGridimage method throws error when
> the function get pandas Series and useSVG=True.
> I can get svg image when I converted the series to list. Like the below.
>
> df is Data frame which has rdkit mol object.
>
> from IPython.display import SVG
> im=Draw.MolsToGridImage(df.ROMol.tolist(), useSVG=True)
> SVG(im)
>
> I hope this would help you.
> Best,
>
> Taka
>
> 2019年3月23日(土) 0:02 Bakary N'tji Diallo :
>
>> It is possible to draw high-quality image for a set of compounds.
>> I am trying to use the panda tool using the FrameToGridImage function.
>>
>> rdkit.Chem.PandasTools.FrameToGridImage(frame, column=’ROMol’,
>> legendsCol=None, **kwargs)
>>
>> But using it with the “useSVG=True” keyword is throwing an error.
>>
>> rdkit.Chem.PandasTools.FrameToGridImage(frame, column=’ROMol’,
>> legendsCol=None,useSVG=True)
>>
>> --
>>
>> Bakary N’tji DIALLO
>>
>> PhD Student (Bioinformatics) , Research
>> Unit in Bioinformatics (RUBi) 
>>
>> Mail: diallobaka...@gmail.com |  Skype: diallobakary4
>>
>> Tel:  +27798233845 | +223 74 56 57 22 | +223 97 39 77 14
>>
>> ___
>> Rdkit-discuss mailing list
>> Rdkit-discuss@lists.sourceforge.net
>> https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
>>
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Re: [Rdkit-discuss] Drawing quality image with PandasTools.FrameToGridImage

[Taka Seri]

Hi Diallo,

I could reproduce it. It seems MolsToGridimage method throws error when the
function get pandas Series and useSVG=True.
I can get svg image when I converted the series to list. Like the below.

df is Data frame which has rdkit mol object.

from IPython.display import SVG
im=Draw.MolsToGridImage(df.ROMol.tolist(), useSVG=True)
SVG(im)

I hope this would help you.
Best,

Taka

2019年3月23日(土) 0:02 Bakary N'tji Diallo :

> It is possible to draw high-quality image for a set of compounds.
> I am trying to use the panda tool using the FrameToGridImage function.
>
> rdkit.Chem.PandasTools.FrameToGridImage(frame, column=’ROMol’,
> legendsCol=None, **kwargs)
>
> But using it with the “useSVG=True” keyword is throwing an error.
>
> rdkit.Chem.PandasTools.FrameToGridImage(frame, column=’ROMol’,
> legendsCol=None,useSVG=True)
>
> --
>
> Bakary N’tji DIALLO
>
> PhD Student (Bioinformatics) , Research
> Unit in Bioinformatics (RUBi) 
>
> Mail: diallobaka...@gmail.com |  Skype: diallobakary4
>
> Tel:  +27798233845 | +223 74 56 57 22 | +223 97 39 77 14
>
> ___
> Rdkit-discuss mailing list
> Rdkit-discuss@lists.sourceforge.net
> https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
>
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