[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 \
number_of_prerefine_models=1000
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.
Thanks,
Heather Condurso
UF-Department of Chemistry
condurso at ufl.edu
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