On 12/07/2010 09:38 PM, Arnon Lavie wrote:
Hi there:
The situation: We are facing difficult molecular replacement: we believe
we have two molecules in the ASU, but phaser/molrep find only one. Using
the electron density calculated using this single molecule, we have
manually placed the 2nd molecule, albeit not good enough for rigid body
refinement.
Our strategy: We are looking for a program to do a 3 dimensional search
around the current position of the 2nd molecule. Maybe one that
calculates R-factor at the different positions, to allow to identify the
correct one. ...
Does anyone know of such a program, or an alternative approach?
Thanks.
Arnon
MOLREP will do this SAPT???..
E
