Member Site › Forums › Rosetta 3 › Rosetta 3 – Applications › Fast relax not working
- This topic has 3 replies, 2 voices, and was last updated 7 years, 8 months ago by Anonymous.
-
AuthorPosts
-
-
April 21, 2017 at 1:06 pm #2643Anonymous
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.
-
April 21, 2017 at 2:41 pm #12307Anonymous
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.
-
April 21, 2017 at 2:41 pm #12828Anonymous
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.
-
April 21, 2017 at 2:41 pm #13349Anonymous
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.
-
-
AuthorPosts
- You must be logged in to reply to this topic.