rdkit.Chem.Draw.MolDrawing module

class rdkit.Chem.Draw.MolDrawing.DrawingOptions

Bases: object

atomLabelDeuteriumTritium = False

atomLabelFontFace = 'sans'

atomLabelFontSize = 12

atomLabelMinFontSize = 7

atomNumberOffset = 0

bgColor = (1, 1, 1)

bondLineWidth = 1.2

colorBonds = True

coordScale = 1.0

dash = (4, 4)

dblBondLengthFrac = 0.8

dblBondOffset = 0.25

defaultColor = (1, 0, 0)

dotsPerAngstrom = 30

elemDict = {16: (0.8, 0.8, 0), 1: (0.55, 0.55, 0.55), 35: (0.5, 0.3, 0.1), 17: (0, 0.8, 0), 53: (0.63, 0.12, 0.94), 0: (0.5, 0.5, 0.5), 7: (0, 0, 1), 8: (1, 0, 0), 9: (0.2, 0.8, 0.8), 15: (1, 0.5, 0)}

includeAtomNumbers = False

noCarbonSymbols = True

radicalSymbol = '∙'

selectColor = (1, 0, 0)

showUnknownDoubleBonds = True

useFraction = 0.85

wedgeDashedBonds = True

class rdkit.Chem.Draw.MolDrawing.Font(face=None, size=None, name=None, weight=None)

Bases: object

class rdkit.Chem.Draw.MolDrawing.MolDrawing(canvas=None, drawingOptions=None)

Bases: object

AddMol(mol, centerIt=True, molTrans=None, drawingTrans=None, highlightAtoms=[], confId=-1, flagCloseContactsDist=2, highlightMap=None, ignoreHs=False, highlightBonds=[], **kwargs)

Set the molecule to be drawn.

Parameters:

hightlightAtoms – list of atoms to highlight (default []) highlightMap – dictionary of (atom, color) pairs (default None)

Notes:

• specifying centerIt will cause molTrans and drawingTrans to be ignored

scaleAndCenter(mol, conf, coordCenter=False, canvasSize=None, ignoreHs=False)

transformPoint(pos)