On 25/08/11 18:20, Richard Rymer wrote:
I finally upgraded to 0.7 this morning via fink, but this seems to have caused a severe problem: torsion angle restraints are no longer functioning in real space refinement. Specifically, torsion angle restraints are turned on under refinement control, but real space refine is clearly not restraining the rotamers. I can see the rotamer probability from Validate, so it seems like the program is connected to the rotamer library ok.
The refinement algorithm is independent of the rotamer library (currently) :-(
Looking at the stoplight output in the GUI, the torsion angle Z score is not displayed, and in the terminal window in which coot is running, the output is consistently "torsions: N/A" regardless of what residue I click.
This doesn't happen for me. Do you get this problem for any molecule in the PDB, say? Paul.
