On Friday 23 February 2007 09:05, Richard Gillilan wrote: > Thanks to all for suggesting a number of solutions! Although TLSView > is now working for Mac, I have found that it is also possible to > import principle axes of the thermal ellipsoids into PyMol without > too much trouble. The program TLSANL will add full ANISO records to > the pdb file based on the TLS groups. Rastep (Rasmol package) will > produce a .r3d file which can be parsed by a few lines of C code to > create a cgo (compiled graphics object) file for PyMol. Axes are > represented by thin CYLINDER primitives. With a bit more work one > could probably also generate ellipsoids. If anyone is interested, I > would be happy to supply the code and notes, such as they are.
Small correction: rastep is part of Raster3D (not Rasmol). rastep will itself generate ellipsoids; indeed that is its primary purpose. -- Ethan A Merritt
