Module sherekhan
source code
Functions for interfacing with Adam Mazur's ShereKhan program.
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__package__ = 'specific_analyses.relax_disp' |
Imports:
dep_check,
sep,
PIPE,
Popen,
RelaxError,
RelaxNoSequenceError,
mkdir_nofail,
open_write_file,
periodic_table,
exists_mol_res_spin_data,
return_residue,
check_pipe,
loop_cluster,
loop_exp_frq,
loop_offset_point,
loop_time,
return_param_key_from_data,
spin_ids_to_containers
sherekhan_input(spin_id=None,
force=False,
dir='ShereKhan')
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Create the ShereKhan input files.
- Parameters:
spin_id (str) - The spin ID string to restrict the file creation to.force (bool) - A flag which if True will cause all pre-existing files to be
overwritten.dir (str or None) - The optional directory to place the files into. If None, then
the files will be placed into the current directory.
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