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.
Richard Gillilan
MacCHESS
|