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io_data() -- create a new input parameters object

io_data(copy=None, **kwargs)

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

io = io_data(hetatm=True)

Alternatively, you can set parameters in an existing object:

io.hetatm = True

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

env = environ() = True

Please note that io_data.hetatm, io_data.hydrogen and io_data.water are ignored when reading UHBD files. When reading CHARMM files, io_data.hetatm is ignored.

Ben Webb 2008-05-05