[Chimera-users] need coordinates from volume data
terry at lego.berkeley.edu
Tue Feb 22 19:01:52 PST 2011
Thanks! That worked perfectly :O) Have a new, similar issue.
I am now interested in getting the electron density contained within a
void. In particular, I have analyzed a favorite structure using castp.
I am now interested in finding out the electron density (integrated or
summed) within the surface that describes the void. Is that possible as
On 2/16/2011 1:56 PM, Tom Goddard wrote:
> Hi Terry,
> I've attached some example Python code to find the (x,y,z)
> coordinates of volume grid points. The output after opening this
> file in Chimera (shown in the Reply Log (menu Favorites / Reply Log)
> looks like
> read map 1a0m.omap
> data size 91 95 82
> xyz for index 15 7 13 is 2.96 -7.4 -1.46875
> data value at ijk 15 7 13 is -0.381388
> I put this example on the Chimera Python scripts page as readvol.py.
>> Hey Everyone,
>> I'm am trying to do some unorthodox analysis of volume data
>> using a script. As part of the analysis, I need to access the x,y,z
>> coordinates of each of the points of a ccp4 map. How would I go about
>> that in Chimera scripting once the data is read in?
Paula Therese Lang
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