[Chimera-users] Set interatomic distances

Eric Pettersen pett at cgl.ucsf.edu
Mon Nov 18 13:43:24 PST 2013


Hi George,
	If you know Python programming, it wouldn't be too hard to change the Chimera distance-montoring code so that distance monitors change colors depending on whether the corresponding constraint is satisfied/violated, if that would help.  That code is in <chimera installation>/share/StructMeasure/DistMonitor.py, specifically the addDistance and updateDistance routines.

--Eric

	Eric Pettersen
	UCSF Computer Graphics Lab

On Nov 18, 2013, at 11:56 AM, Elaine Meng <meng at cgl.ucsf.edu> wrote:

> Hi George,
> Sorry, there is nothing like that.  You would have to use some other program for satisfaction of multiple constraints/restraints.
> 
> With Chimera, it would probably be difficult depending on the number of constraints, but you could measure the various distances and then move one structure relative to the other; the distance values will update automatically.
> <http://www.rbvi.ucsf.edu/chimera/docs/UsersGuide/mouse.html#activedef>
> 
> I hope this helps,
> Elaine
> ----------
> Elaine C. Meng, Ph.D. 
> UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab
> Department of Pharmaceutical Chemistry
> University of California, San Francisco
> 
> On Nov 18, 2013, at 9:16 AM, "George Patargias" <gpat at bioacademy.gr> wrote:
> 
>> Hello
>> Do you know if there is a way to set interatomic distances to a certain
>> value in chimera (rather than measuring them)?
>> 
>> Basically what I want to do is rotate/translate a peptide with respect to
>> a protein so that a set of interatomic distances between the two are
>> satisfied
>> Many thanks!
>> George
>> 
> 
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