Ed Pozharski wrote:
On Fri, 2010-02-19 at 10:34 +0000, Paul Emsley wrote:
Perhaps I misunderstood the question then. I took it to mean: "what
are
the phi and psi value of the residue that I click on?". Those
values
are, as you say, represented on a Ramachandran plot with a green
block.
In due course the values will be added to the residue info dialog.
Paul.
It is rather esoteric situation, but sometimes indeed it would be nice
just to get numbers. For instance, when one is comparing two
structures, there is this mysterious requirement to say "(phi,psi)
angles of the G49 change by +22 and -31 degree upon DNA binding..." or
something like that.
I see.
I am afraid reviewers won't like if I say "the green block shifted a little" :)
:)
There are, of course, many other programs that will calculate backbone
torsions. One trick I can think of with Coot is "torsion general"...
Hmm, I just tried it and it fails to initiate torsion for backbone
dihedrals - is that because they are branched? Doesn't report any
error, just does nothing.
Yes. Torsion general will only allow the manipulation of one residue -
several people have asked to be able to "wag the dog" (as it were).
But that is a manipulation tool, if you simply want to measure phi and
psi, you can do so using the Measures -> Distances and Angles -> Torsion
tool
Oh, there you go: bring up the Ramachandran map, click on the residue
you are interested in and coot will print the phi/psi for it in the
terminal window.
Oh yes, so it does. I forgot about that :-)
With crowded Ramachandran map you may have hard time
hitting the target though. Could we add "Ramachandran map zooming" to
the wish list?
The "+" key?
Paul.
