I don't have any MD trajectories on hand at the moment, but can DynoPlot do
this? If not, it might be an easy modification.
Cheers,
-Michael
On Sat, Feb 13, 2010 at 9:48 PM, Sean Law <magic...@hotmail.com> wrote:
> Hi,
>
> Another idea that came to mind while staring at MD trajectories all day is
> the ability to display measured values (distance, angle, dihedral, etc) in a
> localized or boxed in area (maybe even under the list of objects). The main
> use for a measurement area would be to make it easier to monitor allosteric
> effects. For example, from an MD simulation, if I have a protein that has
> two distant binding sites and I want to monitor the effects on site A
> (perhaps, the cavity of site a changes) when the inhibitor binds to site B.
> In PyMOL, I could measure the distance between the inhibitor and site B but
> it may simply be too far away to see the changing value as I flip through
> the frames since it is so far away from site A. If the measurement was
> instead displayed in its own distinct area, independent of the molecule
> viewing pane then this could be helpful (or have it displayed in both a
> separate location as well as the molecule viewing area).
>
> Just a thought.
>
> Sean
>
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--
Michael Lerner, Ph.D.
IRTA Postdoctoral Fellow
Laboratory of Computational Biology NIH/NHLBI
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