'
import cairocffi
cairocffi.__path__
['/Users/dmitri/anaconda3/lib/python3.5/site-packages/cairocffi']
hasattr(rdMolDraw2D,'MolDraw2DCairo')
False
> Begin forwarded message:
>
> From: DmitriR <xzf...@gmail.com>
> Subject: Re: [Rdkit-discuss] highlightColor in Draw.MolsTo
> Also a couple of related questions (that might have an analogous answer):
>
> (1) is there a way to change the resolution of the PNG images produced by
> Draw.MolToImage(mol)?
> The resulting images look low-res and pretty jagged on my screen.
> I can change the size, but I couldn't find
in the notebook.
But maybe there is a way to do these things that I missed.
Thanks!
Best,
Dmitri
> On Jul 15, 2016, at 5:46 AM, Greg Landrum <greg.land...@gmail.com> wrote:
>
>
>
> On Fri, Jul 15, 2016 at 12:28 AM, DmitriR <xzf...@gmail.com> wrote:
>
> I a
Dear all,
I attempted to set a highlight color in Draw.MolsToGridImage(), thinking that,
by analogy with MolToImage(), it should be possible to pass the
highlightColor=... parameter; but it does not seem to work.
```
from rdkit import Chem
from rdkit.Chem import Draw
from rdkit.Chem.Draw
gt; a bit more.
>
> Cheers,
> Brian
>
> On Wed, Jun 29, 2016 at 3:14 PM, DmitriR <xzf...@gmail.com> wrote:
> Brian - Sure. Attached:
>
> RDKit-test-warnings-01.ipynb
> dff.pkl
> screenshot1-warningsPrintToNotebook.pdf
> screenshot2-noWarningsPrint.pdf
>
>
> btw - you can use StringIO as opposed to a file
>
> from StringIO import StringIO
>
> err = sys.stderr
> io = sys.stderr = StringIO()
>
> sys.stderr = err
> print io.getvalue()
>
>
>
> On Tue, Jun 28, 2016 at 1:24 PM, DmitriR <xzf...@g
itrogen that has an H (I fixed this in the SMILES above). Since the RDKit
> does not attempt to guess at chemistry, the general rule is that aromatic
> heteroatoms should have Hs specified if they have any. There have been a
> number of mailing list threads on this topic.
>
> Bes
Dear RDKitters,
I would appreciate any comments on the following:
I am looking at the 'SureChEMBL iPython Notebook Tutorial'
http://nbviewer.jupyter.org/github/rdkit/UGM_2014/blob/master/Notebooks/Vardenafil.ipynb
following along with rdkit '2016.03.1' on OSX
In Cell 142, there is this
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