On Thu, Nov 8, 2012 at 12:20 AM, Mark J van Raaij <[email protected]> wrote: > Depends on what you call a "solved structure". > For deposition to the pdb ideally there should be very little clashes like > Nat writes. > But perhaps you are referring to the clash score just after molecular > replacement, like that output by Phaser or Molrep?
A word of caution: if he's referring specifically to the MolProbity clash score, this won't take crystal symmetry into account, so depending on how the placed copies of the search model are arrange with respect to NCS and crystal symmetry operators, it may actually undercount the clashes after MR. (Of course the packing score from Phaser will properly account for symmetry, and I assume Molrep displays something similar.) -Nat
