I've created a task, assigned to myself, to enable hybrid models in
relax. The task is located at
https://gna.org/task/?func=detailitem&item_id=3122. An example of
the use of a hybrid model could be if the protein consists of two
independent domains. These two domains could be analysed separately,
each having their own optimised diffusion tensors. The N-terminal
domain run could be called 'N_sphere' while the C-terminal domain
could be called 'C_ellipsoid'. These two runs could then be
hybridised into a run called 'mixed model' by using the hypothetical
user function 'run.hybridise()' which can then be compared, via model
selection, to a run where the entire protein is assumed to have a
single diffusion tensor.
The only requirements for runs to be hybridised is that, at minimum, a
sequence has been loaded, that the sequence for all hybridised runs is
the same, and that no residue is allowed to be selected in two or more
runs. The last condition is to ensure that overlap does not occur to
allow statistically significant comparisons.
Edward
Hybrid technology.