Package specific_analyses :: Package relax_disp :: Module sherekhan
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Module sherekhan

source code

Functions for interfacing with Adam Mazur's ShereKhan program.

Functions [hide private]
 
sherekhan_input(spin_id=None, force=False, dir='ShereKhan')
Create the ShereKhan input files.
source code
Variables [hide private]
  __package__ = 'specific_analyses.relax_disp'

Imports: dep_check, sep, PIPE, Popen, RelaxError, RelaxNoSequenceError, mkdir_nofail, open_write_file, g1H, g15N, pipes, exists_mol_res_spin_data, return_residue, loop_cluster, loop_exp_frq, loop_offset_point, loop_time, return_param_key_from_data, spin_ids_to_containers


Function Details [hide private]

sherekhan_input(spin_id=None, force=False, dir='ShereKhan')

source code 

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.