[phenixbb] phenix - can phenix perform simulated annealing w/o data?

Sue Roberts suer at email.arizona.edu
Fri Apr 18 13:42:45 PDT 2008


I'm trying to minimize a (hypothetical) protein ligand complex where  
the ligand is very large. I can build a dictionary from the smiles  
description using elbow.builder (I love this capability!)).  Can  
phenix  perform minimization (or preferably simulated annealing)  
without real data? How? (This sort of thing could be done using  
xplor).  (I have looked at the phenix documentation  but didn't find  
the answer.  I'm pretty sure the answer is in the documentation  
somewhere and I'm just not seeing it.)



Dr. Sue A. Roberts
Biochemistry & Biophysics
University of Arizona
520 621 8171
suer at email.arizona.edu

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