[phenixbb] MR_Rosetta prerefine question

Heather L Condurso condurso at bc.edu
Fri Nov 8 10:02:29 PST 2013

Dear all,

I am trying to use the rosetta prerefinement fuction of MR_rosetta to
complete a homology model with missing stretches of amino acids.
Everything runs fine and residues are being added to fill the gaps using
the fragment files, but rosetta is also altering parts of the model which
should already be well placed.  Is there a way to tell Rosetta only to
prerefine certain residues?

I've been following the command line suggestion:

phenix.mr_rosetta \
  seq_file=seq.dat \
  data=coords1.mtz \
  search_models=coords1.pdb \
  run_prerefine=True \
  number_of_prerefine_models=1000 \
  fragment_files = test3.gz \
  fragment_files = test9.gz \
  rescore_mr.relax=False \
  rosetta_models=100 \
  ncs_copies=2 \
  space_group=p212121  \
  use_all_plausible_sg=False \
  nproc=200 \

Heather Condurso
condurso at bc.edu
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://phenix-online.org/pipermail/phenixbb/attachments/20131108/1a52e42f/attachment.htm>

More information about the phenixbb mailing list