Module dasha
source code
Module for interfacing with Dasha.
|
|
__deselect_spins()
Deselect spins with no or too little data, that are overfitting, etc. |
source code
|
|
|
|
create(algor='LM',
dir=None,
force=False)
Create the Dasha script file 'dasha_script' for controlling the
program. |
source code
|
|
|
|
|
|
|
|
|
|
|
|
|
__package__ = 'generic_fns' |
Imports:
pi,
F_OK,
access,
chdir,
getcwd,
popen3,
sep,
lower,
sys,
angles,
diffusion_tensor,
pipes,
relax_data,
value,
exists_mol_res_spin_data,
first_residue_num,
last_residue_num,
residue_loop,
spin_loop,
RelaxDirError,
RelaxError,
RelaxFileError,
RelaxNoPdbError,
RelaxNoSequenceError,
RelaxNoTensorError,
mkdir_nofail,
open_write_file,
test_binary,
model_free_obj
|
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 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 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 the data from the Dasha results files.
- Parameters:
dir (str or None) - The optional directory where the results file is located.
|