On May 9, 2011, at 4:00 PM, Kenneth A. Satyshur wrote:

YO!

I am making thermal ellipsoid plots of a highly flexibile region of a
chromophore using rastep and render from the raster3D package of Merritt el al. But I cannot control the orientation. It obscures the rest of the atoms in the plane of the molecule. Does anyone know a way to orientate molecules AND
get a publication quality png file? ccp4mg only produces vague traces.

Hey, you can use Chimera to orient the molecule as you like and then use Chimera's Thermal Ellipsoids tool to draw the ellipsoids. That tool lacks rastep's "cut-away quadrant" depiction but has all the other depictions. More info about Thermal Ellipsoids here:

http://www.cgl.ucsf.edu/chimera/docs/ContributedSoftware/thermal/thermal.html

about Chimera itself here:

www.cgl.ucsf.edu/chimera

--Eric

                        Eric Pettersen
                        UCSF Computer Graphics Lab
                        http://www.cgl.ucsf.edu


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