14 lines
416 B
Python
14 lines
416 B
Python
from rdkit import Chem
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from rdkit.Chem import Draw
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from IPython.display import SVG
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from rdkit.Chem.Draw import IPythonConsole
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def draw2D(mol:Chem.Mol,confId:int=-1):
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d = Draw.MolDraw2DSVG(250, 200)
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d.drawOptions().addAtomIndices = True
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d.DrawMolecule(mol,confId=confId)
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d.FinishDrawing()
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return SVG(d.GetDrawingText())
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draw3D = lambda m3d,confId=-1: IPythonConsole.drawMol3D(m3d,confId=confId) |