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model.write_data() -- write derivative MODEL data

write_data(output, file, surftyp=1, neighbor_cutoff=6.0, accessibility_type=8, probe_radius=1.4, psa_integration_step=0.1, dnr_accpt_lib='$LIB/donor_acceptor.lib', edat=None)
Requirements:
topology file

This command writes the selected types of data about the MODEL to a corresponding file. The last such property (from the list below) is also assigned to the B$ {}_{iso}$ field of the model (this can later be written out with model.write() to a PDB file, where it appears as the temperature factor). The root of the output filenames is given by the file variable.

The data to be calculated are specified by concatenating the corresponding keywords in the output variable:


next up previous contents index
Next: model.make_region() define Up: The model class: handling Previous: model.orient() center   Contents   Index
Ben Webb 2007-08-03