[phenixbb] can phenix.refine create a diff of the current input file with the pdb from the last run before refining?
Ralf W. Grosse-Kunstleve
rwgk at cci.lbl.gov
Wed Apr 21 10:08:00 PDT 2010
It is a bit more work we have time for right now. But if I understand
you correctly this would almost be the same:
cp model_001.pdb model_001.pdb_as_refined
# ... doesn't go well
cp model_001.pdb_as_refined model_001.pdb
I.e. just make a backup of model_001.pdb before you modify it.
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