Hi All -- Yes, I know I want to do something silly here, but does anyone know of a "jiffy" that will generate anisotropic thermal parameters for an isotropic atom? My end goal is to create a figure showing a ligand as ball-and-stick where the spheres are scaled by the B-factor. Since I'm not dealing with ultra-high resolution data, I just have normal isotropic atoms. I'd like to use the new "ellipsoids" functionality in PyMOL, but it requires anisotropic atom lines. Obviously, I could write a python script that would scale the vdW radii by some normalization of the B-factor, but I thought I could be lazy and use what Warren has already built into PyMOL..... Thanks! -Tom PS -- I'm thinking of something like the "-iso" feature of rastep in Ethan Merritt's Raster3D suite......
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