T1T2ne_INTERACTIVE module

class t1t2ne.scripts.t1t2ne_interactive.InteractiveCmd

Bases: BaseCommand

DESCRIPTION: str = 'With this module, the vdlist and vclist for protein dynamics experiment is computed.\nIt can run without any input, in which case it will start from a default of 1 s for T1 and 3 loops for the CPMG block, and then suggest a vdlist based on the estimated R1_ave and R2_ave of the system.\nIn the standard operation mode, the tau_c or MW are used to compute the optimal vdlist.\nS2 is assumed to be 0.9 for the standard operation mode.\nThe IDP mode requires input of the molecular weight of the protein to estimate the correlation time of the slow motion.\nOptionally, the length of the correlation window can be provided as an estimate for the intermediate correlation time.\nIf not provided, it assumes a correlation time of 1.6 ns for the intermediate motion.Two S2 values are expected in the IDP mode. If not provided, they are assumed to be 0.15 for the slow motion and 0.35 for the intermediate motion.'

SHORT_HELP: str = 'Interactive setup of the experiment'

static add_arguments(parser)

Aggiunge gli argomenti specifici di questo comando al parser.

static run(args)

Esegue la logica del comando.

t1t2ne.scripts.t1t2ne_interactive.interactive_setup(CO)

Interactive setup of the experiment. This script can only run on a spectrometer.

Parameters:

CO: Conf_Optns object

The configuration options object containing the parameters for the experiment.

Returns:

python:None

The function prints the suggested vdlist and vclist.