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???..
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