Author: michaelbieri
Date: Thu Feb 25 05:42:42 2010
New Revision: 10924
URL: http://svn.gna.org/viewcvs/relax?rev=10924&view=rev
Log:
The class Relax_fit reads in the type of calculation (R1 or R2), the
frequency, results directory, pdb file and unresolved residues.
Modified:
branches/bieri_gui/auto_analyses/relax_fit.py
Modified: branches/bieri_gui/auto_analyses/relax_fit.py
URL:
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/auto_analyses/relax_fit.py?rev=10924&r1=10923&r2=10924&view=diff
==============================================================================
--- branches/bieri_gui/auto_analyses/relax_fit.py (original)
+++ branches/bieri_gui/auto_analyses/relax_fit.py Thu Feb 25 05:42:42 2010
@@ -29,13 +29,19 @@
class Relax_fit:
- def __init__(self, pipe_name='rx', seq_args=None, file_names=None,
relax_times=None, int_method='height', mc_num=500):
+ def __init__(self, pipe_name='rx', rx_type = 'x', freq = '',
seq_args=None, directory = None, file_names=None, relax_times=None,
int_method='height', mc_num=500, pdb_file = None, unresolved = None):
"""Perform relaxation curve fitting.
@keyword pipe_name: The name of the data pipe to create.
@type pipe_name: str
+ @keyword freq: Spectrometer frequency.
+ @type freq: str
+ @keyword rx_type: Type of Rx analysis: R1 or R2
+ @type rx_type: str
@keyword seq_args: The sequence data (file name, dir,
mol_name_col, res_num_col, res_name_col, spin_num_col, spin_name_col, sep).
These are the arguments to the sequence.read() user function, for more
information please see the documentation for that function.
@type seq_args: list of lists of [str, None or str, None or
int, None or int, None or int, None or int, None or int, None or int, None
or int, None or str]
+ @keyword directory: Location of the generated results files.
+ @type directory: str, directory
@keyword file_names: A list of all the peak list file names.
@type file_names: list of str
@keyword relax_times: The list of relaxation times corresponding
to file_names. These two lists must be of the same size.
@@ -44,6 +50,10 @@
@type int_method: str
@keyword mc_num: The number of Monte Carlo simulations to be
used for error analysis at the end of the analysis.
@type mc_num: int
+ @keyword pdb_file: The structure file.
+ @type pdb_file: str, file
+ @keyword unresolved: Unresolved residues.
+ @type unresolved: str
"""
# Store the args.
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