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Sequence Tolerance Failed

Category: 
ROSIE

Dear all,

 

I submitted six jobs to Rosie (28069 through 28074) under the username dstork. They failed quickly with no error messages beyond "Failed * Tech support has been notified of this error" anywhere that I can see. After waiting a few weeks the issue hasn't been resolved. What can I do to get this job to work?

Thanks,

-Devon

Post Situation: 

Error with non-canonical amino acid in SnugDock.

Category: 
Docking

Hi all,

I'm trying to model the binding of an antibody to a citrullinated peptide. I've created rotlibs and params files for the citrulline amino acid following the protocol in Renfrew, et al. "Incorporation of Noncanonical Amino Acids into Rosetta and Use in Computational Protein-Peptide Interface Design", doi:10.1371/journal.pone.0032637. Now I'm trying to use SnugDock to model the antibody:antigen binding, but I keep hitting the following error. 

Post Situation: 

ArchiveManager -- spinning down

Category: 
Structure prediction

Hi Rosetta Community,

I am running RASREC CS-ROSETTA on a Cluster using 10 cores with mpi. 

After 2 days, I got this error message:

------------------------------------------------------------------------------------------------------------------------------------

ERROR: error detected in ArchiveManager -- spinning down

ERROR:: Exit from: src/protocols/jd2/archive/ArchiveManager.cc line: 445

Post Situation: 

Altering substrate specificity

Category: 
Design
Scoring
Enzyme Design
Small Molecules
Chemically Modified Residues

Hi all,

I'm presently working on a project to modify the substrate specificity of a DNA polymerase for non-natural nucleic acids.

I've currently been using the GreedyOptMutationMover with a ddg filter (jump across the substrate) for a 10Å shell around the active site and identified several single point mutations that have been experimentally validated to improve activity.

However, one of the problems with greedyopt is that it does not appear to screen every possible position or single point mutation within the designable region.

Post Situation: 

rosetta_scripts_BOGUS coords warning message

Category: 
Phenix / MR Rosetta

 

 Hi,

I am using rosetta scripts to build a protein into electron density.

However, I am getting some warning messages, which relate to my CYX residues. I understand the message itself, but I don't know why it appears, what it means to my structure and whether I should be worried about it. As I said, I have several CYS residues, which I mutated to CYX (CYX name in PDB file) and when I start my calculations I am getting the following warning message for all CYX residues:

Post Situation: 

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