Hi,
I would like to visualize the following resonance structures in the same
orientation (i.e. the same atomic coordinates), however, the image on the
right appears to be drawn upside down compared to the image on the left,
while the element names (e.g. N, O, and F) in both images are right side
up. Mirroring the image on the right about a horizontal axis can be
accomplished with ax.set_ylim([0,300]) however the element names are then
upside down. How can I mirror the drawing on the right about a horizontal
axis without mirroring element names?
from rdkit import Chem
from rdkit.Chem import Draw
import matplotlib.pyplot as plt
def draw_structure(smiles_string, ax=None):
m = Chem.MolFromSmiles(smiles_string, sanitize=False)
m.UpdatePropertyCache()
Chem.SetHybridization(m)
# ax.set_ylim([0,300]) # Flips image but element names also flip
return ax.imshow(Draw.MolToImage(m), interpolation='bessel')
fig = plt.figure(figsize=(10,5))
ax1 = plt.subplot2grid((1, 2), (0, 0))
ax2 = plt.subplot2grid((1, 2), (0, 1))
draw_structure('CN(C2=O)C(C)=N\C2=C/C1=CC(F)=C([o-])C(F)=C1', ax=ax1)
draw_structure('CN(C=2[o-])C(C)=N\C2C=C1/C=C(F)C(=O)C(F)=C1', ax=ax2)
plt.tight_layout()
plt.show()
Output:
[image: image.png]
Thanks,
Jason
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