Re: [Rdkit-discuss] show ROMol column in table

[Samo Turk]

Hi Andrea,

"format" was moved to another location with pandas 0.18. This issue was
fixed in RDKit, you just need to update.
https://github.com/rdkit/rdkit/commit/18b40822b22189bcc0d69a9f3dd5cdbcbf6f322a#diff-e87a869ec98a98d154043410f44fe94e

Cheers,
Samo

On Thu, Mar 9, 2017 at 9:31 AM, Volkamer, Andrea  wrote:

> Dear all,
>
> I have trouble showing a table including a ROMol column.
>
> # Add column to dataframe
> PandasTools.AddMoleculeColumnToFrame(df, smilesCol='smiles')
> # Remove compounds that couldn't be built
> df = df[~df.ROMol.isnull()]
>
> This works fine, but when I want to display it (df.head()), I get the
> following error:
>
> AttributeError: 'module' object has no attribute 'format'
>
> The first few columns are printed and have some image encoding in the
> respective column like:
>
> https://physiologie-cbf.charite.de/en/institute/workgroups/team_volkamer/
>
> Campus Mitte: Virchowweg 6, 10117 Berlin/ Philippstraße 13, Haus 18,
> 10115 Berlin
>
>
> Phone: +49 30 - 450 528 554 <030%20450528554> / 209 347 938
> E-Mail: andrea.volka...@charite.de
>
> 
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[Rdkit-discuss] show ROMol column in table

[Volkamer, Andrea]

Dear all,

I have trouble showing a table including a ROMol column.

# Add column to dataframe
PandasTools.AddMoleculeColumnToFrame(df, smilesCol='smiles')
# Remove compounds that couldn't be built
df = df[~df.ROMol.isnull()]

This works fine, but when I want to display it (df.head()), I get the following 
error:


AttributeError: 'module' object has no attribute 'format'


The first few columns are printed and have some image encoding in the 
respective column like:

https://physiologie-cbf.charite.de/en/institute/workgroups/team_volkamer/

Campus Mitte: Virchowweg 6, 10117 Berlin/ Philippstraße 13, Haus 18, 10115 
Berlin

Phone: +49 30 - 450 528 554 / 209 347 938
E-Mail: andrea.volka...@charite.de
--
Announcing the Oxford Dictionaries API! The API offers world-renowned
dictionary content that is easy and intuitive to access. Sign up for an
account today to start using our lexical data to power your apps and
projects. Get started today and enter our developer competition.
http://sdm.link/oxford___
Rdkit-discuss mailing list
Rdkit-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss