Author: michaelbieri Date: Thu Sep 9 02:31:48 2010 New Revision: 11536 URL: http://svn.gna.org/viewcvs/relax?rev=11536&view=rev Log: No diffusion tensor pdb file will be craetes in case local Tm model was selected. Modified: branches/bieri_gui/gui_bieri/analyses/results_analysis.py Modified: branches/bieri_gui/gui_bieri/analyses/results_analysis.py URL: http://svn.gna.org/viewcvs/relax/branches/bieri_gui/gui_bieri/analyses/results_analysis.py?rev=11536&r1=11535&r2=11536&view=diff ============================================================================== --- branches/bieri_gui/gui_bieri/analyses/results_analysis.py (original) +++ branches/bieri_gui/gui_bieri/analyses/results_analysis.py Thu Sep 9 02:31:48 2010 @@ -212,25 +212,29 @@ ################################################################################################## #Create Diffusion Tensor - - # Display the diffusion tensor. - interpreter.diffusion_tensor.display() - - # Create the tensor PDB file. - tensor_file = 'tensor.pdb' - interpreter.structure.create_diff_tensor_pdb(file=tensor_file, dir=str(directory) + sep, force=True) - - # create diffusion tensor macro - file = open(str(directory) + sep + 'diffusion_tensor.pml', 'w') - file.write('load ' + pdbfile + '\n') - file.write('color red, ss h\n') - file.write('color yellow, ss s\n') - file.write('color green, ss l+''\n') - file.write('set cartoon_discrete_colors, 1\n') - file.write('hide all\n') - file.write('show cartoon\n') - file.write('load ' + str(directory) + sep + 'tensor.pdb' + '\n') - file.close() + try: + # Display the diffusion tensor. + interpreter.diffusion_tensor.display() + + # Create the tensor PDB file. + tensor_file = 'tensor.pdb' + interpreter.structure.create_diff_tensor_pdb(file=tensor_file, dir=str(directory) + sep, force=True) + + # create diffusion tensor macro + file = open(str(directory) + sep + 'diffusion_tensor.pml', 'w') + file.write('load ' + pdbfile + '\n') + file.write('color red, ss h\n') + file.write('color yellow, ss s\n') + file.write('color green, ss l+''\n') + file.write('set cartoon_discrete_colors, 1\n') + file.write('hide all\n') + file.write('show cartoon\n') + file.write('load ' + str(directory) + sep + 'tensor.pdb' + '\n') + file.close() + + # No diffusion tensor (local tm model was selected) + except: + print "\nModel without diffusion tensor was selected (local TM)!\nNo diffusion tensor was created!\n\n" ##################################################################################################