IOData() — create a new input parameters object

IOData(copy=None, **kwargs)

This creates a new IOData object, with default parameters. You can, however, specify any of these parameters when you create the object:

io = IOData(hetatm=True)

Alternatively, you can set parameters in an existing object:

io.hetatm = True

Many commands use IOData objects. However, for convenience, the Environ class also contains an IOData object, as Environ.io. This is used as the default if you do not give an IOData parameter, so you can set this to change the input configuration used by all functions:

env = Environ()
env.io.hetatm = True

Please note that IOData.hetatm, IOData.hydrogen, IOData.convert_modres, IOData.hybrid36, IOData.two_char_chain and IOData.water are ignored when reading UHBD files. When reading CHARMM files, IOData.hetatm, IOData.convert_modres, IOData.hybrid36 and IOData.two_char_chain are ignored.