Package pipe_control :: Module chemical_shift
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Module chemical_shift

source code

Module containing functions for the handling of chemical shifts.

Functions [hide private]
 
read(file=None, dir=None, spin_id_col=None, mol_name_col=None, res_num_col=None, res_name_col=None, spin_num_col=None, spin_name_col=None, sep=None, spin_id=None, verbose=True)
Read the peak intensity data.
source code
Variables [hide private]
  __package__ = 'pipe_control'

Imports: sys, warn, RelaxError, RelaxNoSequenceError, write_data, read_peak_list, RelaxNoSpinWarning, pipes, exists_mol_res_spin_data, generate_spin_id_unique, return_spin


Function Details [hide private]

read(file=None, dir=None, spin_id_col=None, mol_name_col=None, res_num_col=None, res_name_col=None, spin_num_col=None, spin_name_col=None, sep=None, spin_id=None, verbose=True)

source code 

Read the peak intensity data.

Parameters:
  • file (str) - The name of the file containing the peak intensities.
  • dir (str) - The directory where the file is located.
  • spin_id_col (int or None) - The column containing the spin ID strings (used by the generic intensity file format). If supplied, the mol_name_col, res_name_col, res_num_col, spin_name_col, and spin_num_col arguments must be none.
  • mol_name_col (int or None) - The column containing the molecule name information (used by the generic intensity file format). If supplied, spin_id_col must be None.
  • res_name_col (int or None) - The column containing the residue name information (used by the generic intensity file format). If supplied, spin_id_col must be None.
  • res_num_col (int or None) - The column containing the residue number information (used by the generic intensity file format). If supplied, spin_id_col must be None.
  • spin_name_col (int or None) - The column containing the spin name information (used by the generic intensity file format). If supplied, spin_id_col must be None.
  • spin_num_col (int or None) - The column containing the spin number information (used by the generic intensity file format). If supplied, spin_id_col must be None.
  • sep (str or None) - The column separator which, if None, defaults to whitespace.
  • spin_id (None or str) - The spin ID string used to restrict data loading to a subset of all spins. If 'auto' is provided for a NMRPipe seriesTab formatted file, the ID's are auto generated in form of Z_Ai.
  • verbose (bool) - A flag which if True will cause all chemical shift data loaded to be printed out.