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
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Arnon Lavie, Professor
Dept. of Biochemistry and Molecular Genetics
University of Illinois at Chicago
900 S. Ashland Ave.
Molecular Biology Research Building, Room 1108 (M/C 669)
Chicago, IL 60607
U.S.A.
Tel: (312) 355-5029
Fax: (312) 355-4535
E-mail: la...@uic.edu
http://www.uic.edu/labs/lavie/
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