model_free.select_model

Synopsis

Select a preset model-free model.

Defaults

model_free.select_model(model=None, spin_id=None)

Keyword arguments

model: The name of the preset model.

spin_id: The spin identification string.

Description

This allows a standard model-free model to be selected from a long list of models.

The preset models

The standard preset model-free models are

`m0' -

{},

`m1' -

{S2},

`m2' -

{S², τ_e},

`m3' -

{S², R_ex},

`m4' -

{S², τ_e, R_ex},

`m5' -

{S²_f, S², τ_s},

`m6' -

{S²_f, τ_f, S², τ_s},

`m7' -

{S²_f, S², τ_s, R_ex},

`m8' -

{S²_f, τ_f, S², τ_s, R_ex},

`m9' -

{Rex}.

The preset model-free models with optimisation of the CSA value are

`m10' -

{CSA},

`m11' -

{CSA, S²},

`m12' -

{CSA, S², τ_e},

`m13' -

{CSA, S², R_ex},

`m14' -

{CSA, S², τ_e, R_ex},

`m15' -

{CSA, S²_f, S², τ_s},

`m16' -

{CSA, S²_f, τ_f, S², τ_s},

`m17' -

{CSA, S²_f, S², τ_s, R_ex},

`m18' -

{CSA, S²_f, τ_f, S², τ_s, R_ex},

`m19' -

{CSA, R_ex}.

The preset model-free models with optimisation of the bond length are

`m20' -

{r},

`m21' -

{r, S²},

`m22' -

{r, S², τ_e},

`m23' -

{r, S², R_ex},

`m24' -

{r, S², τ_e, R_ex},

`m25' -

{r, S²_f, S², τ_s},

`m26' -

{r, S²_f, τ_f, S², τ_s},

`m27' -

{r, S²_f, S², τ_s, R_ex},

`m28' -

{r, S²_f, τ_f, S², τ_s, R_ex},

`m29' -

{r, CSA, R_ex}.

The preset model-free models with both optimisation of the bond length and CSA are

`m30' -

{r, CSA},

`m31' -

{r, CSA, S²},

`m32' -

{r, CSA, S², τ_e},

`m33' -

{r, CSA, S², R_ex},

`m34' -

{r, CSA, S², τ_e, R_ex},

`m35' -

{r, CSA, S²_f, S², τ_s},

`m36' -

{r, CSA, S²_f, τ_f, S², τ_s},

`m37' -

{r, CSA, S²_f, S², τ_s, R_ex},

`m38' -

{r, CSA, S²_f, τ_f, S², τ_s, R_ex},

`m39' -

{r, CSA, R_ex}.

Warning: The models in the thirties range fail when using standard R₁, R₂, and NOE relaxation data. This is due to the extreme flexibly of these models where a change in the parameter `r' is compensated by a corresponding change in the parameter `csa' and vice versa.

The preset local tm models

Additional preset model-free models, which are simply extensions of the above models with the addition of a local τ_m parameter are:

`tm0' -

{tm},

`tm1' -

{τ_m, S²},

`tm2' -

{τ_m, S², τ_e},

`tm3' -

{τ_m, S², R_ex},

`tm4' -

{τ_m, S², τ_e, R_ex},

`tm5' -

{τ_m, S²_f, S², τ_s},

`tm6' -

{τ_m, S²_f, τ_f, S², τ_s},

`tm7' -

{τ_m, S²_f, S², τ_s, R_ex},

`tm8' -

{τ_m, S²_f, τ_f, S², τ_s, R_ex},

`tm9' -

{τ_m, R_ex}.

The preset model-free models with optimisation of the CSA value are

`tm10' -

{τ_m, CSA},

`tm11' -

{τ_m, CSA, S²},

`tm12' -

{τ_m, CSA, S², τ_e},

`tm13' -

{τ_m, CSA, S², R_ex},

`tm14' -

{τ_m, CSA, S², τ_e, R_ex},

`tm15' -

{τ_m, CSA, S²_f, S², τ_s},

`tm16' -

{τ_m, CSA, S²_f, τ_f, S², τ_s},

`tm17' -

{τ_m, CSA, S²_f, S², τ_s, R_ex},

`tm18' -

{τ_m, CSA, S²_f, τ_f, S², τ_s, R_ex},

`tm19' -

{τ_m, CSA, R_ex}.

The preset model-free models with optimisation of the bond length are

`tm20' -

{τ_m, r},

`tm21' -

{τ_m, r, S²},

`tm22' -

{τ_m, r, S², τ_e},

`tm23' -

{τ_m, r, S², R_ex},

`tm24' -

{τ_m, r, S², τ_e, R_ex},

`tm25' -

{τ_m, r, S²_f, S², τ_s},

`tm26' -

{τ_m, r, S²_f, τ_f, S², τ_s},

`tm27' -

{τ_m, r, S²_f, S², τ_s, R_ex},

`tm28' -

{τ_m, r, S²_f, τ_f, S², τ_s, R_ex},

`tm29' -

{τ_m, r, CSA, R_ex}.

The preset model-free models with both optimisation of the bond length and CSA are

`tm30' -

{τ_m, r, CSA},

`tm31' -

{τ_m, r, CSA, S²},

`tm32' -

{τ_m, r, CSA, S², τ_e},

`tm33' -

{τ_m, r, CSA, S², R_ex},

`tm34' -

{τ_m, r, CSA, S², τ_e, R_ex},

`tm35' -

{τ_m, r, CSA, S²_f, S², τ_s},

`tm36' -

{τ_m, r, CSA, S²_f, τ_f, S², τ_s},

`tm37' -

{τ_m, r, CSA, S²_f, S², τ_s, R_ex},

`tm38' -

{τ_m, r, CSA, S²_f, τ_f, S², τ_s, R_ex},

`tm39' -

{τ_m, r, CSA, R_ex}.

Spin identification string

If `spin_id' is supplied then the model will only be selected for the corresponding spins. Otherwise the model will be selected for all spins.

Prompt examples

To pick model `m1' for all selected spins, type:

[numbers=none]
relax> model_free.select_model('m1')

[numbers=none]
relax> model_free.select_model(model='m1')