Hi Tommi,
Apologies, i know this is not phenix bb but since i am here (and not
subscr. there)
no need to apologize! You can just subscribe to it:
http://www.phenix-online.org/mailman/listinfo/phenixbb
how to control rigid body ref positions in phenix.refine, i am trying
to do very low res check
(6 Å) with quite many molecules, and they start landing on each other
while the MR solution from molrep
has perfect packing ....isnt there a packing constraint somwhere
saying atoms cant be on top of each
other...????
Currently phenix.refine does not employ any geometry restraints and/or
constraints in rigid-body refinement. Adding it is in our to-do list.
Details about current implementation you can find here:
Afonine PV, Grosse-Kunstleve RW, Urzhumtsev A, Adams PD: Automatic
multiple-zone rigid-body refinement with a large convergence radius. J.
Appl. Cryst. 2009, 42:607-615.
Please let me know if you have any other questions.
Pavel.
