Hi,
That's no problem. The script for this diffusion tensor image is called
diff_tensor_pdb.py. It can be found in the 1.3 line. The only
currently functional version of relax capable of making this figure is
relax-1.3.0, so I would recommend installing that version as well and
looking in the 'sample_scripts/' directory. This script handles
spherical, spheroidal, and ellipsoidal diffusion tensors.
Regards,
Edward
On Sun, 2007-12-09 at 11:04 -0500, Douglas Kojetin wrote:
Hi Edward,
Thanks for this. Would you also be willing to share the script used
to create Figure 7.5: The Brownian rotational diffusion tensor of OMP
as determined by the
new model-free optimisation protocol ?
Thanks,
Doug
On Dec 9, 2007, at 9:49 AM, Edward d'Auvergne wrote:
Hi,
I didn't include the XH bond distribution scripts with relax. There
were a couple of these to generate the figure. These 2 file have been
attached to this message. 'dist.py' generates parts c and d whereas
'dist_core.py' generates parts a and b. For those who are interested,
this figure is from my PhD thesis located at
http://eprints.infodiv.unimelb.edu.au/archive/00002799/. Note that
the
file 'core' referred to in 'dist_core.py' is just a text file with one
residue number per line. Also, depending on how you look at these
scripts, be careful and maybe remove any line wrapping. I hope you
find
this useful.
Regards,
Edward
On Mon, 2007-12-03 at 12:26 -0500, Douglas Kojetin wrote:
Hi Edward,
Is a relax script available that creates a PyMOL (or MOLMOL)
structure figure of the NH bond vector orientations, as shown in your
dissertation (Figure 7.8; page 252)?
Thanks,
Doug<dist_core.py><dist.py>
Diffusion tensor figure.