[phenixbb] MR_Rosetta prerefine

Heather Condurso condurso at bc.edu
Thu Nov 1 07:46:34 PDT 2012

Dear all,

I am using mr_rosetta to run prerefinement of various starting models that all have pretty low sequence homology to my protein of interest (~15%).  I ran it using the simple script from the manual:

phenix.mr_rosetta \
  seq_file=seq.dat \
  search_models=coords1.pdb \
  run_prerefine=True \

Its working fairly well, but obviously taking a long time to make 1000 models.  Is there a log or score file somewhere that lists all of the rosetta scores as it is running?  Right now all the pdb files in each different run have the format S_"original model name"__0001.pdb no matter what run it resulted from.  Is there a way to make it unique for example with the actual run number in place of 0001?  This makes it difficult to compare files in pymol.  

Heather Condurso
UF-Department of Chemistry
condurso at ufl.edu

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