
Hello Elaine and Eric Many thanks for your useful comments! George
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@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@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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