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trRosetta protocol Segmentation Fault

Category: 
Structure prediction

Hello,

So I've been trying to implement the new trRosetta protocol and I keep getting a segmentation fault error. Is there any idea what I might be doing incorrectly? The Rosetta Crash Log is below and is followed by the output logs (both raw text files are also included as attachments).

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RosettaCM/hybridize

Category: 
Structure prediction

Has anyone had trouble with the Hybridize mover in RosettaScripts in the lastest weekly release Rosetta 2021.16 (Release date: Friday, April 23, 2021)? My script that works with older releases has stopped working and seg faults in Stage 4. Other movers, for example FastRelax, work.

Any help is much appreciated! Thanks.

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Filling the missing loops

Category: 
Loop Modeling

Hello,

I was working on a PDB structures with 3 missing loops. Two of them have more than 15 missing residues. In this case, are the loop modeling methods still applicable? If so, which algorithm should I follow? Can I ask if there is a better way to fill the loops without affecting the existing region in the PDB structure? Thank you!

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Clustering problem

Category: 
Scoring

Hi guys.

I met a problem when I was doing the clustering. I excuted this command but it was unexpectedly ended killed and had no result. I've 200 pdb files in this folder.

I'll be really grateful if it can be solved.

$ /home/suuo/Rosetta/main/source/bin/cluster.default.linuxgccrelease -database /home/suuo/Rosetta/main/database -in:file:fullatom -cluster:radius 3 -nooutput -out:file:silent ./cluster.out in:file:s *.pdb

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……………omit………………

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multi ligand docking using rosetta script

Category: 
Docking

 

  Hi all.

  I'm trying to dock  my ligand with HEM to CYP using rosetta script with XML protocol

  overall running process seems to complete without any problem, and rosetta script seems to recognize HEM and  ligand as separate entity

  But in some conformer generated by rosetta-script, there is severe clash between HEM and ligand.

  For this kind of conformer, rosetta total_score was extremely high and I could filter out this kind of unfavorable structure based on rosetta score

Post Situation: 

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