symmetric design w/ hbnet and unsatisfied_buried_penalty score terms

[Anonymous]

Hi All,

I am working on designing some symmetric structures and am currently using REF2015 + hbnet. In addition, I want to add the buried_unsatisfied_penalty. When I add this term to the score function, it works and can score ‘non-symmetrized’ structures just fine. However, when I try to score a structure that has been ‘symmetrized’ I get the following error: 

File: /home/benchmark/rosetta/source/src/core/pack/guidance_scoreterms/buried_unsat_penalty/graph/BuriedUnsatPenaltyGraph.cc:637

[ ERROR ] UtilityExitException

ERROR: Assertion `symminfo->bb_is_independent(res_index)` failed.

I am not sure how to go about fixing this issue, so any advice on how to troubleshoot would be greatly appreciated!

Thanks!

 

[Anonymous]

Hmm.  You might get that error if your symmdef file is set up strangely — if the asymetric unit isn’t the first N residues of the pose.  Are you able to share your symmdef file?

[Anonymous]

Yes, absolutely. I’ve attatched below.

Thanks.

[Anonymous]

Are you also able to share a test case (a PDB file) for this?  If you don’t want  to do so publicly, you can e-mail me at  vmulligan@flatironinstitute.org.  I want to try to fix the buried_unsatisfied_penalty so that it makes no special assumptions of the setup of the symdef file, and it would be good to be able to use this as a test case as I do so, if I could.

     –Vikram

[Author]

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