Looks like the same issue. Glad that you are planning to work on it so I
don't have to enforce a a narrow range of RDKit versions in my installation
specs.
Thanks,
Giammy
On Fri, 6 May 2022, 16:21 David Cosgrove,
wrote:
> Hi Giammy,
> You're right, the new pictures look pretty rubbish. I
Hi Giammy,
You're right, the new pictures look pretty rubbish. I assume it's related
to https://github.com/rdkit/rdkit/discussions/5195. I'll fix it over the
weekend, and hopefully it'll show up in the next patch release.
Dave
On Fri, May 6, 2022 at 1:07 PM Gianmarco Ghiandoni
wrote:
> Hi
Hi Dave,
Thanks for your reply. The reason why my library sticks to 2021.09 is
because I get even more trouble with later versions of RDKit. These are two
examples of rendering with 2021 and 2022:
[image: image.png][image: image.png]
The good news is that your padding suggestion works, so I set
Hi Giammy,
On reflection overnight, you might try d2d.drawOptions().padding = 0.2 or
something. That should increase the amount of empty space around the
molecule (the default is 0.05, and it's the fraction of the width/height of
the image) such that there's enough room to show the whole
Hi Giammy,
I’d be pretty disappointed if that happened in 2022.03.[12]. I don’t think
there’s a fix for that in 2021.09. If it still happens in the latest
version please file it as a bug and I’ll take a look at it. The molecule
rendering was completely overhauled over the winter to try and
Hi all,
I am using rdkit_pypi==2021.9.4 to generate visualisation of compounds with
their atomic hydrogen bond strengths. In particular, I am using this
function to produce an SVG string:
d2d = rdMolDraw2D.MolDraw2DSVG(fig_size[0], fig_size[1])
d2d.drawOptions().annotationFontScale = 0.7
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