[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
Hello
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.)
Thanks,
Sue
Dr. Sue A. Roberts
Biochemistry & Biophysics
University of Arizona
520 621 8171
suer at email.arizona.edu
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