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 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:
Kinking residues have both DRMS and maximal distance difference beyond their respective cutoffs ( , ). The actual single kink residue separating the two new segments of the same type is the central kinking residue. Note: we are assuming that there are no multiple kinks within one contiguous segment of residues of the same secondary structure type. The kink residue type is .