Re: My XH bond distribution scripts, Re: NH bond vector orientation figure in pymol/molmol -- December 09, 2007 - 17:05

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>