Hi, Once all the changes are complete, it might be worth mentioning this on the relax-users mailing list with a link to the file (via http://svn.gna.org/viewcvs/relax/).
Regards, Edward On 30 May 2011 04:38, <[email protected]> wrote: > Author: michaelbieri > Date: Mon May 30 04:38:17 2011 > New Revision: 12830 > > URL: http://svn.gna.org/viewcvs/relax?rev=12830&view=rev > Log: > If no diffusion tensor is present, creation of diffusion pdb will be skipped. > > Modified: > 1.3/sample_scripts/model_free/final_data_extraction.py > > Modified: 1.3/sample_scripts/model_free/final_data_extraction.py > URL: > http://svn.gna.org/viewcvs/relax/1.3/sample_scripts/model_free/final_data_extraction.py?rev=12830&r1=12829&r2=12830&view=diff > ============================================================================== > --- 1.3/sample_scripts/model_free/final_data_extraction.py (original) > +++ 1.3/sample_scripts/model_free/final_data_extraction.py Mon May 30 > 04:38:17 2011 > @@ -15,6 +15,7 @@ > # relax module imports. > from generic_fns.mol_res_spin import spin_loop > from generic_fns import pipes > +from relax_errors import RelaxError > > > > @@ -131,16 +132,6 @@ > grace.write(x_data_type='spin', y_data_type='csa', file='csa.agr', > force=True) > grace.write(x_data_type='te', y_data_type='s2', file='s2-te.agr', force=True) > > -################################################################################################## > - > -#Create Diffusion Tensor > - > -# Display the diffusion tensor. > -diffusion_tensor.display() > - > -# Create the tensor PDB file. > -tensor_file = 'tensor.pdb' > -structure.create_diff_tensor_pdb(file=tensor_file, force=True) > > ################################################################################################## > > @@ -244,6 +235,24 @@ > file.close() > > > +################################################################################################## > + > +#Create Diffusion Tensor > + > +# Try to read the diffusion tensor. > +try: > + # Display the diffusion tensor. > + diffusion_tensor.display() > + > + # Create the tensor PDB file. > + tensor_file = 'tensor.pdb' > + structure.create_diff_tensor_pdb(file=tensor_file, force=True) > + > +# No diffusion in model (local tm model) > +except: > + print "No diffusion tensor found." > + > + > > ################################################################################################## > > > > _______________________________________________ > relax (http://nmr-relax.com) > > This is the relax-commits mailing list > [email protected] > > To unsubscribe from this list, get a password > reminder, or change your subscription options, > visit the list information page at > https://mail.gna.org/listinfo/relax-commits > _______________________________________________ relax (http://nmr-relax.com) This is the relax-devel mailing list [email protected] To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-devel
