[Chimera-users] Calculating and showing the Mass center of Volume Segments

[Tom Goddard]

Here is a Python script to place a marker at the center of mass of a map 
at points above the displayed contour level.  You open your map and then 
open the script (menu File / Open) to create the marker.  For marking 
more than one map, just highlight the map in the volume dialog by 
clicking on its histogram or name and open the script.  The grid index 
of the center point will be reported in the reply log (menu Favorites / 
Reply Log).

I will make the Chimera "measure" command do this calculation and marker 
placement in the future.  This is a busy month so it will be some time 
before I get to that.

I've attached the script and also put it on the Chimera Python scripts 
web page:

     http://plato.cgl.ucsf.edu/trac/chimera/wiki/Scripts

   Tom


> There isn't any Chimera command to identify the center of mass or a 
> density map or place a marker/atom there.  But that seems useful.  A 
> Python script can easily do it.  I'll see if I can give you a Python 
> script at the end of today, or maybe add an operation to the Chimera 
> "measure" command to do this job.
>
>     Tom
>
>> Hello,
>>
>> I got a volume map that I segmented in 4 parts. Now I wanted to 
>> measure how the parts are coordinated to each other. As the 
>> Axes/Planes/Centroids menu can only create planes by atoms I wanted 
>> to place atoms in the mass- center of each segment. Is there any way 
>> to realize that?
>>
>> Or do you have any other way to measure the angles. To explain what 
>> I'm trying to measure: Example you have 4 segments, I call them a b c 
>> d. I want to measure how the axis that is formed by a and b, forms an 
>> angle to c and d, or how ist he angle of the plane formed by a b and 
>> c compared to ab and d . All for segments are basically the same 
>> objects just turned and rotated.
>>
>> With best regards
>>
>> C. Schmidt
>>
>>
>>
>
>
>
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