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RDKit
Package rdkit :: Package Chem :: Package Draw
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Package Draw

source code

Submodules [hide private]

Functions [hide private]
 
_getCanvas() source code
 
MolToImage(mol, size=(300, 300), kekulize=True, wedgeBonds=True, canvas=None, **kwargs)
returns a PIL image containing a drawing of the molecule		 source code
 
MolToFile(mol, fileName, size=(300, 300), kekulize=True, wedgeBonds=True, imageType=None, **kwargs)
Generates a drawing of a molecule and writes it to a file...		 source code
 
MolToImageFile(mol, filename, size=(300, 300), kekulize=True, wedgeBonds=True, **kwargs)
DEPRECATED: please use MolToFile instead		 source code
 
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
Variables [hide private]
  tkRoot = None
  tkLabel = None
  tkPI = None
  __package__ = 'rdkit.Chem.Draw'

Imports: os


Function Details [hide private]

MolToImage(mol, size=(300, 300), kekulize=True, wedgeBonds=True, canvas=None, **kwargs)

source code  
returns a PIL image containing a drawing of the molecule

Keyword arguments:
kekulize -- run kekulization routine on input `mol` (default True)
size -- final image size, in pixel (default (300,300))
wedgeBonds -- draw wedge (stereo) bonds (default True)
highlightAtoms -- list of atoms to highlight (default [])
highlightMap -- dictionary of (atom, color) pairs (default None)

MolToFile(mol, fileName, size=(300, 300), kekulize=True, wedgeBonds=True, imageType=None, **kwargs)

source code  
Generates a drawing of a molecule and writes it to a file

ShowMol(mol, size=(300, 300), kekulize=True, wedgeBonds=True, title='RDKit Molecule', **kwargs)

source code  
Generates a picture of a molecule and displays it in a Tkinter window

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