Hey Tom, 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 well? Terry 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.
http://plato.cgl.ucsf.edu/trac/chimera/wiki/Scripts
Tom
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?
Thanks, Terry
-- Paula Therese Lang Postdoctoral Scholar Alber Lab UC Berkeley/QB3