Module dasha

Module for interfacing with Dasha.

Functions

__deselect_spins()
Deselect spins with no or too little data, that are overfitting, etc.

create(algor='LM', dir=None, force=False)
Create the Dasha script file 'dasha_script' for controlling the program.

create_script(file, model_type, algor)
Create the Dasha script file.

execute(dir, force, binary)
Execute Dasha.

extract(dir)
Extract the data from the Dasha results files.

read_results(file=None, dir=None, scaling=1.0)
Extract the data from the Dasha results file.

Variables

__package__ = 'pipe_control'

Imports: dep_check, pi, F_OK, access, chdir, getcwd, sep, PIPE, Popen, sys, RelaxDirError, RelaxError, RelaxFileError, RelaxNoPdbError, RelaxNoSequenceError, RelaxNoTensorError, extract_data, mkdir_nofail, open_write_file, strip, test_binary, angles, diffusion_tensor, pipes, value, return_interatom_list, exists_mol_res_spin_data, first_residue_num, last_residue_num, residue_loop, return_spin, spin_loop, loop_frequencies, model_free_obj

Function Details

create(algor='LM', dir=None, force=False)

Create the Dasha script file 'dasha_script' for controlling the program.

Parameters:

• algor (str) - The optimisation algorithm to use. This can be the Levenberg-Marquardt algorithm 'LM' or the Newton-Raphson algorithm 'NR'.
• dir (str or None) - The optional directory to place the script into.
• force (bool) - A flag which if True will cause any pre-existing file to be overwritten.

create_script(file, model_type, algor)

Create the Dasha script file.

Parameters:

• file (file object) - The opened file descriptor.
• model_type (str) - The model-free model type.
• algor (str) - The optimisation algorithm to use. This can be the Levenberg-Marquardt algorithm 'LM' or the Newton-Raphson algorithm 'NR'.

execute(dir, force, binary)

Execute Dasha.

Parameters:

• dir (str or None) - The optional directory where the script is located.
• force (bool) - A flag which if True will cause any pre-existing files to be overwritten by Dasha.
• binary (str) - The name of the Dasha binary file. This can include the path to the binary.

extract(dir)

Extract the data from the Dasha results files.

Parameters:

• dir (str or None) - The optional directory where the results file is located.

read_results(file=None, dir=None, scaling=1.0)

Extract the data from the Dasha results file.

Parameters:

• file (str) - The name of the file to open.
• dir (str or None) - The directory containing the file (defaults to the current directory if None).
• scaling (float) - The parameter scaling factor.