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 = {0: (0.5, 0.5, 0.5), 1: (0.55, 0.55, 0.55), 7: (0, 0, 1), 8: (1, 0, 0), 9: (0.2, 0.8, 0.8), 15: (1, 0.5, 0), 16: (0.8, 0.8, 0), 17: (0, 0.8, 0), 35: (0.5, 0.3, 0.1), 53: (0.63, 0.12, 0.94)}
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)
rdkit.Chem.Draw.MolDrawing.cmp(t1, t2)