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Urgent issue: Error with submitting a new Rosetta-Vienna RNP-ddG job

Category: 
ROSIE

"Submitting Rosetta-Vienna RNP-ddG job failed!

Validation failed as:

  • seq_file: Incorrect seq_file format. Each line should have the format:
    sequence RNAfold_energy

    For example:
    gggggggaucaccccccc -4.5

 

Please correct this errors and re-submit!"

Post Situation: 

Unknown Element "SE" when generating NCAA params file containing selenium

Category: 
Non-Canonical Peptides

Hello,

I've been trying to incorporate a noncanonical selenium-containing residue into my protein sequence, however, when running molefile_to_params_polymer.py I keep getting an error saying "unknown element SE." I've tried looking at the code where the error occurs, and it seems there are a series of elif statements that specify some atoms that are allowed. That being said, I swapped selenium out for xenon (not listed in the code) in the sdf file and the function ran to completion. I've attached a screenshot of my SDF.

Post Situation: 

Include MHC alpha helices in loop modelling protocol for pMHC complex

Category: 
Structure prediction

Hi,

I am using rosetta for modelling the peptide from a pMHC complex. I have been using a template which I thread into the target sequence which I use in a loop modelling protocol. 

When modelling I only focus on the peptide without letting any part of the MHC move, but in some cases, I have bad modelling results.
I was wondering if including the residues of the MHC in contact with peptides in the modelling will be a way to improve the results I am getting.

Post Situation: 

pMHC modelling

Category: 
Structure prediction

Hi,

I am using rosetta for modelling the peptide from a pMHC complex. I have been using a template which I thread into the target sequence which I use in a loop modelling protocol. 

Until now the templates that I used had a high sequence identity with the target, but now I have cases where the identity is 3 out 9 or even less.

My question regarding this is:

Post Situation: 

simple_cycpep_predict - Design mode - The base name "ARG" was added more than once

Category: 
Design

Hello,

I am using simple_cycpep_predict in design mode to find derivatives of a peptide for disulfide cyclization. For the -cyclic_peptide:allowed_residues_by_position option I am using the following file:

Post Situation: 

Academic email

Category: 
ROSIE

I encountered this error while trying to login to ROSIE:Your GitHub account does not have verified academic email address! My academic domain ( @kribb.re.kr ) cannot be verified during login to rosie. My institution is public research organization in south Korea

Thank

Post Situation: 

RIFdocking:Unable to locate database file chemical/residue_type_sets/fa_standard/residue_types/

Category: 
Design

Hello, everyone, I encountered some problems when I was doing Step 19: Actual motif grafting of RIFdocking.
First, I need to turn my scaffolding into a silent files. The command is as follows:

cat scaffolds.list | silentfrompdbsparallel > scaffolds.silent

After the command is run, I got the following error:

Post Situation: 

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