lib.openbabel module

Module with the openbabel functionality, optional module for graphics representation of chemical compound from its smile code

• imageFromSmile(): Generate image file with expanded formulae

• ConfBabel: Openbabel image generation configuration options

lib.openbabel.imageFromSmile(smile, fname, conf)

Generate image file with the compound chemical structure

Parameters:

smilestr

Smile code for compound

fnamestr

Filename to save the image

confconfigparser.ConfigParser

Configuration parameters

class lib.openbabel.ConfBabel(config=None, parent=None)

Bases: QDialog

Openbabel image generation configuration options

Methods

updateImage([config])	Update image shown when changing some of the parameters
value(config)	Update ConfigParser instance with the config

__init__(config=None, parent=None)

updateImage(config=None)

Update image shown when changing some of the parameters

value(config)

Update ConfigParser instance with the config