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Fast relax not working

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Fast relax not working
#1

Hi I have not used Rosetta for a while.  i wanted to relax my receptor for enzyme design and i kept on having the message

Evaluation Creator active ... 

protocols.relax.FastRelax: WARNING: Pose has no residues. Doing a FastRelax would be pointless. Skipping.

protocols.jd2.JobDistributor: S_0001 reported success in 0 seconds

protocols.jd2.JobDistributor: no more batches to process... 

protocols.jd2.JobDistributor: 1 jobs considered, 1 jobs att

here is my flag file

-s ligand.pdb   #-s your_structure.pdb
-database /Applications/rosetta_src_2015.05.57576_bundle/main/database
-relax:constrain_relax_to_start_coords 
-use_input_sc
-out:nstruct 5
-relax:fast
-score:weights talaris2013_cst
 

Command line

/Applications/rosetta_src_2015.05.57576_bundle/main/source/bin/relax.default.macosclangrelease.

 

It used to work before, dont know why it does not work now.

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Fri, 2017-04-21 06:06
eyong123

It looks like you forgot to put the reference to the options file on the Rosetta command line.  Rosetta does not auto-load any options files, if you're using them, you have to manually specify them on the commandline with the '@' syntax. E.g.

           /Applications/rosetta_src_2015.05.57576_bundle/main/source/bin/relax.default.macosclangrelease  @options.txt

The error messages you're getting are consistent with not passing any input options, which would be the case if the options file isn't being read.

Fri, 2017-04-21 07:41
rmoretti