[chimerax-users] Possible to measure the shortest distance between two models?

Tom Goddard goddard at sonic.net
Tue Sep 28 11:54:48 PDT 2021


You can use Python in ChimeraX to find the shortest distance.  Here is some example code closest.py to do that.

	https://rbvi.github.io/chimerax-recipes/closest/closest.html <https://rbvi.github.io/chimerax-recipes/closest/closest.html>

If you open that Python code in ChimeraX it registers a command "closest"

	open 7LUP
	closest /A to /B maxDist 100

	> Minimum distance 2.27 between /A LYS 45 NZ and /B ASP 522 OD1

  Tom


> On Sep 28, 2021, at 2:15 AM, Vorländer,Matthias Kopano via ChimeraX-users <chimerax-users at cgl.ucsf.edu> wrote:
> 
> Dear all,
>  
> I am interested in measuring the shortest distance between two models (PDBs) without a priori knowledge of which atoms will be the closest ones. I am planning to do this for a large number of model pairs, therefore it would be great if this would be scriptable. Is this possible using ChimeraX?
> Thanks a lot in advance,
>  
> Best,
> Matthias
>  
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