Hello,
Does anyone know how to render thermal ellipsoids in rastep in a specific view, not the one arbitrarily chosen by the program? How to do this is not well documented as far as I have seen. What I have tried is to write out the rotation/transformation matrix of the view I want using molscript –gl, and put the matrix or its transpose (as a test) into the raster3d header file automatically used as input for raster3d if it is in the current directory. This changes the view from the default automatic view but does not match the view I want. My header.r3d file looks like -
by rotation
-0.155113 0.406792 0.900256
-0.861109 0.390958 -0.325027
-0.48418 -0.825635 0.28965
translate -4.6120 -21.2290 -16.6985;
but it is not clear to me if this is the correct format to be using, or if there is a different issue as to why the views don’t match. The 4th line of the matrix is from render output in raster3d.
I run rastep from the command line using
rastep -Bcolor 10 30 -prob .25 < test.pdb | render -png test.png
or for the automatic view angle
rastep –auto -Bcolor 10 30 -prob .25 < test.pdb | render -png test.png
Any suggestions would be very helpful!
Thanks very much,
Charu
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