r10926 - /branches/bieri_gui/auto_analyses/relax_fit.py -- February 25, 2010 - 05:45

Author: michaelbieri
Date: Thu Feb 25 05:45:04 2010
New Revision: 10926

URL: http://svn.gna.org/viewcvs/relax?rev=10926&view=rev
Log:
The sequence is loaded from a pdb file, if provided.

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=10926&r1=10925&r2=10926&view=diff
==============================================================================
--- branches/bieri_gui/auto_analyses/relax_fit.py (original)
+++ branches/bieri_gui/auto_analyses/relax_fit.py Thu Feb 25 05:45:04 2010
@@ -25,6 +25,8 @@
 
 # relax module imports.
 from prompt.interpreter import Interpreter
+import generic_fns.structure.main
+
 
 
 
@@ -91,7 +93,13 @@
         self.interpreter.pipe.create(self.pipe_name, 'relax_fit')
 
         # Load the sequence.
-        self.interpreter.sequence.read(file=self.seq_args[0], 
dir=self.seq_args[1], mol_name_col=self.seq_args[2], 
res_num_col=self.seq_args[3], res_name_col=self.seq_args[4], 
spin_num_col=self.seq_args[5], spin_name_col=self.seq_args[6], 
sep=self.seq_args[7])
+        if self.pdb_file == '!!! Sequence file selected !!!': # load 
sequence of file
+            print 'Sequence file'  # FIXME
+            #self.interpreter.sequence.read(file=self.seq_args[0], 
dir=self.seq_args[1], mol_name_col=self.seq_args[2], 
res_num_col=self.seq_args[3], res_name_col=self.seq_args[4], 
spin_num_col=self.seq_args[5], spin_name_col=self.seq_args[6], 
sep=self.seq_args[7])
+            
+        else:   # load PDB File
+            self.interpreter.structure.read_pdb(self.pdb_file)
+            generic_fns.structure.main.load_spins(spin_id='@N')
 
         # Loop over the spectra.
         for i in xrange(len(self.file_names)):