python - rdkit：如何绘制高分辨率化学结构

Question

我正在使用 jupyter 实验室绘制化学结构。但输出图像分辨率太低。我该如何改进它？

from rdkit import Chem
from rdkit.Chem import Draw
smiles = 'C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O'
m = Chem.MolFromSmiles(smiles)
Draw.MolToImage(m)

非常感谢

Answer 1

我找到了解决方案，更多信息可以在这里找到

from rdkit import Chem
from rdkit.Chem.Draw import IPythonConsole
from rdkit.Chem import rdDepictor
from rdkit.Chem.Draw import rdMolDraw2D
from IPython.display import SVG

smiles = 'C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O' 
m = Chem.MolFromSmiles(smiles)

def moltosvg(mol, molSize = (300,300), kekulize = True):
    mc = Chem.Mol(mol.ToBinary())
    if kekulize:
        try:
            Chem.Kekulize(mc)
        except:
            mc = Chem.Mol(mol.ToBinary())
    if not mc.GetNumConformers():
        rdDepictor.Compute2DCoords(mc)
    drawer = rdMolDraw2D.MolDraw2DSVG(molSize[0],molSize[1])
    drawer.DrawMolecule(mc)
    drawer.FinishDrawing()
    svg = drawer.GetDrawingText()
    return svg.replace('svg:','')

SVG(moltosvg(m))