On 11/1/06, Douglas Kojetin <[EMAIL PROTECTED]> wrote:
Is there sample data included with relax so we can view this new feature?
A simple way is to test this is invent stuff - that's what I did when I was creating this code. I then applied it to real data later. For example I used the following within a script: ----- # Create the run. name = 'tensor' run.create(name, 'mf') # Load the PDB file. pdb.read(name, 'replace_with_my_protein.pdb') # Set up and then display the diffusion tensor. #diffusion_tensor.init(name, 9e-9) diffusion_tensor.init(name, (9e-9, 1e7, 150, 270)) #diffusion_tensor.init(name, (9e-9, -1e7, 150, 270)) #diffusion_tensor.init(name, (9e-9, 1e7, 0.5, 60, 290, 100)) # Create the tensor PDB file. tensor_file = 'tensor.pdb' pdb.create_tensor_pdb(name, file=tensor_file, force=1) # PyMOL. pymol.view(name) pymol.cartoon(name) pymol.tensor_pdb(name, file=tensor_file) ----- Edward _______________________________________________ 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
