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MolToImage(mol,
size=(300,300),
kekulize=True,
wedgeBonds=True,
fitImage=False,
options=None,
canvas=None,
**kwargs)
Returns a PIL image containing a drawing of the molecule |
source code
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MolToFile(mol,
fileName,
size=(300,300),
kekulize=True,
wedgeBonds=True,
imageType=None,
fitImage=False,
options=None,
**kwargs)
Generates a drawing of a molecule and writes it to a file... |
source code
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MolToImageFile(mol,
filename,
size=(300,300),
kekulize=True,
wedgeBonds=True,
**kwargs)
DEPRECATED: please use MolToFile instead |
source code
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ShowMol(mol,
size=(300,300),
kekulize=True,
wedgeBonds=True,
title='RDKit Molecule',
**kwargs)
Generates a picture of a molecule and displays it in a Tkinter window... |
source code
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MolToMPL(mol,
size=(300,300),
kekulize=True,
wedgeBonds=True,
imageType=None,
fitImage=False,
options=None,
**kwargs)
Generates a drawing of a molecule on a matplotlib canvas... |
source code
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calcAtomGaussians(mol,
a=0.03,
step=0.02,
weights=None)
useful things to do with these:
fig.axes[0].imshow(z,cmap=cm.gray,interpolation='bilinear',origin='lower',extent=(0,1,0,1))
fig.axes[0].contour(x,y,z,20,colors='k') |
source code
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MolsToImage(mols,
subImgSize=(200,200),
legends=None,
**kwargs) |
source code
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_moltoimg(mol,
sz,
highlights,
legend,
**kwargs) |
source code
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_MolsToGridImage(mols,
molsPerRow=3,
subImgSize=(200,200),
legends=None,
highlightAtomLists=None,
**kwargs)
returns a PIL Image of the grid... |
source code
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_MolsToGridSVG(mols,
molsPerRow=3,
subImgSize=(200,200),
legends=None,
highlightAtomLists=None,
stripSVGNamespace=True,
**kwargs)
returns an SVG of the grid... |
source code
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MolsToGridImage(mols,
molsPerRow=3,
subImgSize=(200,200),
legends=None,
highlightAtomLists=None,
useSVG=False,
**kwargs) |
source code
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ReactionToImage(rxn,
subImgSize=(200,200),
**kwargs) |
source code
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MolToQPixmap(mol,
size=(300,300),
kekulize=True,
wedgeBonds=True,
fitImage=False,
options=None,
**kwargs)
Generates a drawing of a molecule on a Qt QPixmap... |
source code
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