Class Run

Instance Methods

__init__(self, relax)

create(self, run=None, run_type=None)
Function for setting up a run type.

delete(self, run=None)
Function for deleting a run.

hybridise(self, hybrid=None, runs=None)
Function for a hybridised run from a number of other runs.

Method Details

create(self, run=None, run_type=None)

Function for setting up a run type.

Keyword Arguments
~~~~~~~~~~~~~~~~~

run:  The name of the run.

type:  The type of run.


Description
~~~~~~~~~~~

The run name can be any string however the run type can only be one of the following

    'ct':  Consistency tests.
    'jw':  Reduced spectral density mapping,
    'mf':  Model-free analysis,
    'noe':  Steady state NOE calculation,
    'relax_fit':  Relaxation curve fitting,
    'srls':  SRLS analysis.


Examples
~~~~~~~~

To set up a model-free analysis run with the name 'm5', type:

relax> run.create('m5', 'mf')

delete(self, run=None)

Function for deleting a run.

Keyword Arguments
~~~~~~~~~~~~~~~~~

run:  The name of the run.


Description
~~~~~~~~~~~

This function will destroy all data corresponding to the given run.

hybridise(self, hybrid=None, runs=None)

Function for a hybridised run from a number of other runs.

Keyword Arguments
~~~~~~~~~~~~~~~~~

hybrid:  The name of the hybrid run to create.

runs:  An array containing the names of all runs to hybridise.


Description
~~~~~~~~~~~

This user function can be used to construct hybrid models.  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
typing

relax> run.hybridise('mixed model', ['N_sphere', 'C_ellipsoid'])
relax> run.hybridise(hybrid='mixed model', runs=['N_sphere', 'C_ellipsoid'])

This hybrid run 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.