Hi Paul,
You mentioned "several people have asked to be able to "wag the dog". I
am among those people. This feature is so important, when are you going
to implement it?
Maia
Paul Emsley wrote:
> 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.
>
>
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